CID 636829 - PubChem Public Chemical Database


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Compound Summary (CID 636829)

Table of Contents

Compound Information

Old version Substances

PubChem Compound Data

Properties Computed from Structure:

Molecular Weight	127.18422 [g/mol]
Molecular Formula	C₇H₁₃NO
XLogP3-AA	2.1
H-Bond Donor	0
H-Bond Acceptor	2
Rotatable Bond Count	3
Exact Mass	127.099714
MonoIsotopic Mass	127.099714
Topological Polar Surface Area	21.6
Heavy Atom Count	9
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	1
Covalently-Bonded Unit Count	1

PubChem Compound Data

Descriptors Computed from Structure:

IUPAC Name: N-ethenoxy-3-methylbutan-2-imine
Canonical SMILES: CC(C)C(=NOC=C)C
InChI: InChI=1S/C7H13NO/c1-5-9-8-7(4)6(2)3/h5-6H,1H2,2-4H3

InChIKey: CVRBHPINIDOAJA-UHFFFAOYSA-N

PubChem Compound Data

Compound Information:

CID 636829

Create Date: 2006-01-25

Suppressed Compound

Related Compounds:

Same, Connectivity: 2 Links

PubChem Substance Data

Old Version Substance:

SID 586782, Version: 1, Same
SID 8704132, Version: 1, Same


	2D		3D

Compound ID	636829
Molecular Weight	127.18422 [g/mol]
Molecular Formula	C₇H₁₃NO
XLogP3-AA	2.1
H-Bond Donor	0
H-Bond Acceptor	2

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