(1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene

C14H16 — CID 102160165

IUPAC(1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene
SMILESCC1=CC[C@H]2[C@@H](C1)[C@@H]2c1ccccc1
InChIInChI=1S/C14H16/c1-10-7-8-12-13(9-10)14(12)11-5-3-2-4-6-11/h2-7,12-14H,8-9H2,1H3/t12-,13+,14+/m0/s1
InChIKeyZUEGMSSRODBHAK-BFHYXJOUSA-N
MW184.28 g/mol
LogP3.76
Rot. Bonds1

About (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene

(1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene (PubChem CID 102160165) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene
PubChem CID102160165
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name(1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene
SMILESCC1=CC[C@H]2[C@@H](C1)[C@@H]2c1ccccc1
InChIInChI=1S/C14H16/c1-10-7-8-12-13(9-10)14(12)11-5-3-2-4-6-11/h2-7,12-14H,8-9H2,1H3/t12-,13+,14+/m0/s1
InChIKeyZUEGMSSRODBHAK-BFHYXJOUSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene 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

9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
CID 70451157
(2R,3S,5'R)-1',3-dimethyl-5'-phenylspiro[3H-indene-2,4'-cyclohexene]-1-one
CID 14610816
(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
4-iodo-1-methylcyclopentene
CID 144823254
(NE)-N-(3-methyl-5-phenylcyclohex-2-en-1-ylidene)hydroxylamine
CID 14973001
methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene
CID 142322094
(5R)-4,5-dichloro-1-methylcyclohexene
CID 118474866
ethane;(2S)-2-phenylaziridine
CID 145185749
2-methyl-3-phenylcyclopropan-1-ol
CID 100919927
trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine
CID 134994236
[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene
CID 135038673

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene?
The IUPAC name of (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene (CID 102160165) is (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene is CC1=CC[C@H]2[C@@H](C1)[C@@H]2c1ccccc1.
What is the InChIKey of (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene?
The InChIKey is ZUEGMSSRODBHAK-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H16/c1-10-7-8-12-13(9-10)14(12)11-5-3-2-4-6-11/h2-7,12-14H,8-9H2,1H3/t12-,13+,14+/m0/s1.
What are the key properties of (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene?
(1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene has a molecular weight of 184.28 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R)-3-methyl-7-phenylbicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 102160165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).