(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene

C13H14 — CID 135075375

IUPAC(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene
SMILESC1=C[C@H]2C[C@H]2C1Cc1ccccc1
InChIInChI=1S/C13H14/c1-2-4-10(5-3-1)8-11-6-7-12-9-13(11)12/h1-7,11-13H,8-9H2/t11?,12-,13-/m0/s1
InChIKeyJXZYAGPOGSKXAQ-SPOOISQMSA-N
MW170.25 g/mol
LogP3.05
Rot. Bonds2

About (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene

(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene (PubChem CID 135075375) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene
PubChem CID135075375
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene
SMILESC1=C[C@H]2C[C@H]2C1Cc1ccccc1
InChIInChI=1S/C13H14/c1-2-4-10(5-3-1)8-11-6-7-12-9-13(11)12/h1-7,11-13H,8-9H2/t11?,12-,13-/m0/s1
InChIKeyJXZYAGPOGSKXAQ-SPOOISQMSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-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

4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361
(1S,2S,4S,7S,8R)-4-benzyltricyclo[6.2.1.02,7]undec-9-en-3-one
CID 14565057
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473
(1S,2R,6S,7R)-3,5-dibenzyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 139065758
(5-methylidenecyclopent-2-en-1-yl)methylbenzene
CID 123813408
(2-benzylcyclopropyl)methanamine
CID 56605942
1,3-dibenzylcyclooctane
CID 3045388
tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene
CID 22237211
bicyclo[2.2.1]hepta-2,5-diene;propylbenzene
CID 175311370
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-benzyl-1,2-dihydroazete
CID 145299473

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene (CID 135075375) is (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene is C1=C[C@H]2C[C@H]2C1Cc1ccccc1.
What is the InChIKey of (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene?
The InChIKey is JXZYAGPOGSKXAQ-SPOOISQMSA-N. The full InChI is InChI=1S/C13H14/c1-2-4-10(5-3-1)8-11-6-7-12-9-13(11)12/h1-7,11-13H,8-9H2/t11?,12-,13-/m0/s1.
What are the key properties of (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene?
(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene has a molecular weight of 170.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 135075375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).