(4S)-4-azido-1-methylcyclohexene

C7H11N3 — CID 15748117

IUPAC(4S)-4-azido-1-methylcyclohexene
SMILESCC1=CC[C@@H](N=[N+]=[N-])CC1
InChIInChI=1S/C7H11N3/c1-6-2-4-7(5-3-6)9-10-8/h2,7H,3-5H2,1H3/t7-/m1/s1
InChIKeyJORNWVQJHOPUSX-SSDOTTSWSA-N
MW137.19 g/mol
LogP2.80
Rot. Bonds1

About (4S)-4-azido-1-methylcyclohexene

(4S)-4-azido-1-methylcyclohexene (PubChem CID 15748117) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (4S)-4-azido-1-methylcyclohexene.

Molecular Properties

Compound Name(4S)-4-azido-1-methylcyclohexene
PubChem CID15748117
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(4S)-4-azido-1-methylcyclohexene
SMILESCC1=CC[C@@H](N=[N+]=[N-])CC1
InChIInChI=1S/C7H11N3/c1-6-2-4-7(5-3-6)9-10-8/h2,7H,3-5H2,1H3/t7-/m1/s1
InChIKeyJORNWVQJHOPUSX-SSDOTTSWSA-N
XLogP2.80
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4S)-4-azido-1-methylcyclohexene 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-Cyclohexen-1-yl-azide
CID 11007889
3-Azido-1-methylcyclohex-1-ene
CID 11073491
6-Azido-1-ethenylcyclohexene
CID 101490378
1-(Diazidomethyl)cyclohexene
CID 166447718
6-Azido-2-methylhept-2-ene
CID 13512615
3,5-dimethyl-4,7-dihydro-3H-diazepine
CID 57131723
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene
CID 58664993
3-Azido-1-ethyl-cyclohexene
CID 86623795
3-Azido-1,2-dimethylcyclohexene
CID 90775284
6-Azido-1-ethylcyclohexene
CID 90971042
6-Azido-1-methylcyclohex-1-ene
CID 91419492

Frequently Asked Questions

What is the IUPAC name of (4S)-4-azido-1-methylcyclohexene?
The IUPAC name of (4S)-4-azido-1-methylcyclohexene (CID 15748117) is (4S)-4-azido-1-methylcyclohexene.
What is the SMILES notation for (4S)-4-azido-1-methylcyclohexene?
The canonical SMILES for (4S)-4-azido-1-methylcyclohexene is CC1=CC[C@@H](N=[N+]=[N-])CC1.
What is the InChIKey of (4S)-4-azido-1-methylcyclohexene?
The InChIKey is JORNWVQJHOPUSX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-2-4-7(5-3-6)9-10-8/h2,7H,3-5H2,1H3/t7-/m1/s1.
What are the key properties of (4S)-4-azido-1-methylcyclohexene?
(4S)-4-azido-1-methylcyclohexene has a molecular weight of 137.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-azido-1-methylcyclohexene is sourced from PubChem (CID 15748117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).