1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C15H16O2 — CID 168896058

IUPAC1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)C12CCC1C2
InChIInChI=1S/C15H16O2/c16-14(15-5-3-12(15)9-15)8-10-1-2-13-11(7-10)4-6-17-13/h1-2,7,12H,3-6,8-9H2
InChIKeyCBGJQMWGSFCIMW-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.53
Rot. Bonds3

About 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone

1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 168896058) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID168896058
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)C12CCC1C2
InChIInChI=1S/C15H16O2/c16-14(15-5-3-12(15)9-15)8-10-1-2-13-11(7-10)4-6-17-13/h1-2,7,12H,3-6,8-9H2
InChIKeyCBGJQMWGSFCIMW-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone 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-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
1-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-4,4-difluoropiperidine-2-carboxylic acid
CID 155957113
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110774382
2-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214924
4-[[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542026
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide
CID 99833738
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
methyl 1-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]cyclohexane-1-carboxylate
CID 47019212

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 168896058) is 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone is O=C(Cc1ccc2c(c1)CCO2)C12CCC1C2.
What is the InChIKey of 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is CBGJQMWGSFCIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-14(15-5-3-12(15)9-15)8-10-1-2-13-11(7-10)4-6-17-13/h1-2,7,12H,3-6,8-9H2.
What are the key properties of 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.1.0]pentanyl)-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 168896058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).