3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone

C13H13ClO — CID 114963326

IUPAC3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)C1CC2CC2C1
InChIInChI=1S/C13H13ClO/c14-12-4-2-1-3-11(12)13(15)10-6-8-5-9(8)7-10/h1-4,8-10H,5-7H2
InChIKeyKATLDWVLBMFZGE-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.57
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone

3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone (PubChem CID 114963326) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
PubChem CID114963326
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)C1CC2CC2C1
InChIInChI=1S/C13H13ClO/c14-12-4-2-1-3-11(12)13(15)10-6-8-5-9(8)7-10/h1-4,8-10H,5-7H2
InChIKeyKATLDWVLBMFZGE-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone 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-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone
CID 103474428
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
CID 114964124
2-(2-chlorobenzoyl)cyclohexane-1,3-dione
CID 14301628
2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid
CID 107046386
(2-aminocyclopentyl)-(2-chlorophenyl)methanone
CID 116580051
2-adamantyl-(2,3-dichlorophenyl)methanone
CID 114970494
(2-aminocycloheptyl)-(2-chlorophenyl)methanone
CID 116595085
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
2-chloro-N-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzamide
CID 11935636

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone (CID 114963326) is 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone?
The InChIKey is KATLDWVLBMFZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c14-12-4-2-1-3-11(12)13(15)10-6-8-5-9(8)7-10/h1-4,8-10H,5-7H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone?
3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone has a molecular weight of 220.70 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone is sourced from PubChem (CID 114963326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).