2,3-dimethyl-4H-azepine-7-carbonitrile

C9H10N2 — CID 123297703

IUPAC2,3-dimethyl-4H-azepine-7-carbonitrile
SMILESCC1=C(C)N=C(C#N)C=CC1
InChIInChI=1S/C9H10N2/c1-7-4-3-5-9(6-10)11-8(7)2/h3,5H,4H2,1-2H3
InChIKeyFPGZSGGMJNYKMJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.20
Rot. Bonds

About 2,3-dimethyl-4H-azepine-7-carbonitrile

2,3-dimethyl-4H-azepine-7-carbonitrile (PubChem CID 123297703) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3-dimethyl-4H-azepine-7-carbonitrile.

Molecular Properties

Compound Name2,3-dimethyl-4H-azepine-7-carbonitrile
PubChem CID123297703
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,3-dimethyl-4H-azepine-7-carbonitrile
SMILESCC1=C(C)N=C(C#N)C=CC1
InChIInChI=1S/C9H10N2/c1-7-4-3-5-9(6-10)11-8(7)2/h3,5H,4H2,1-2H3
InChIKeyFPGZSGGMJNYKMJ-UHFFFAOYSA-N
XLogP2.20
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile
CID 123676535
(Z)-N,3-dimethylpent-2-enimidoyl cyanide
CID 142029984
2,5,7-trimethyl-4H-azepine
CID 143041208
2,3,6,7-tetramethyl-4H-azepine
CID 143143583
7-methyl-4H-azepine-3-carbonitrile
CID 143838550
7-methyl-8H-cyclohepta[b]pyridine-2-carbonitrile
CID 145572250
7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile
CID 146351614
2-chloro-5-ethyl-4H-azepine-7-carbonitrile
CID 146420333
5-ethyl-3-methyl-4H-azepine-7-carbonitrile
CID 146428140
(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane
CID 162686706
(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide
CID 162686707
N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide
CID 170141959

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4H-azepine-7-carbonitrile?
The IUPAC name of 2,3-dimethyl-4H-azepine-7-carbonitrile (CID 123297703) is 2,3-dimethyl-4H-azepine-7-carbonitrile.
What is the SMILES notation for 2,3-dimethyl-4H-azepine-7-carbonitrile?
The canonical SMILES for 2,3-dimethyl-4H-azepine-7-carbonitrile is CC1=C(C)N=C(C#N)C=CC1.
What is the InChIKey of 2,3-dimethyl-4H-azepine-7-carbonitrile?
The InChIKey is FPGZSGGMJNYKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-4-3-5-9(6-10)11-8(7)2/h3,5H,4H2,1-2H3.
What are the key properties of 2,3-dimethyl-4H-azepine-7-carbonitrile?
2,3-dimethyl-4H-azepine-7-carbonitrile has a molecular weight of 146.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4H-azepine-7-carbonitrile is sourced from PubChem (CID 123297703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).