2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine

C9H11N — CID 163641813

IUPAC2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
SMILESCC1C=CC(C2C=N2)=CC1
InChIInChI=1S/C9H11N/c1-7-2-4-8(5-3-7)9-6-10-9/h2,4-7,9H,3H2,1H3
InChIKeyIEWMUNZBGGFJLC-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds1

About 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine

2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine (PubChem CID 163641813) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
PubChem CID163641813
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
SMILESCC1C=CC(C2C=N2)=CC1
InChIInChI=1S/C9H11N/c1-7-2-4-8(5-3-7)9-6-10-9/h2,4-7,9H,3H2,1H3
InChIKeyIEWMUNZBGGFJLC-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
CID 139627561
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
2-(cyclobuten-1-yl)-2H-azirine
CID 163867841
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
CID 154542947
3-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 138737890
(4-methylcyclohexa-1,5-dien-1-yl)diazene
CID 142980862
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635
tert-butyl 4-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]piperidine-1-carboxylate
CID 177197713
4-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-oxocyclohexen-1-yl)-4,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 123296019

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine?
The IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine (CID 163641813) is 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine.
What is the SMILES notation for 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine?
The canonical SMILES for 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine is CC1C=CC(C2C=N2)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine?
The InChIKey is IEWMUNZBGGFJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-2-4-8(5-3-7)9-6-10-9/h2,4-7,9H,3H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine?
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine has a molecular weight of 133.19 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine is sourced from PubChem (CID 163641813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).