1-benzofuran-2-yl-(2-methylcyclopentyl)methanone

C15H16O2 — CID 107187534

IUPAC1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H16O2/c1-10-5-4-7-12(10)15(16)14-9-11-6-2-3-8-13(11)17-14/h2-3,6,8-10,12H,4-5,7H2,1H3
InChIKeyCAGYBDDCJLAJPQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.05
Rot. Bonds2

About 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone

1-benzofuran-2-yl-(2-methylcyclopentyl)methanone (PubChem CID 107187534) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
PubChem CID107187534
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H16O2/c1-10-5-4-7-12(10)15(16)14-9-11-6-2-3-8-13(11)17-14/h2-3,6,8-10,12H,4-5,7H2,1H3
InChIKeyCAGYBDDCJLAJPQ-UHFFFAOYSA-N
XLogP4.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone
CID 115807122
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
1-benzofuran-2-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 114736917
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
1-(1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363980
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone (CID 107187534) is 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone?
The InChIKey is CAGYBDDCJLAJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-5-4-7-12(10)15(16)14-9-11-6-2-3-8-13(11)17-14/h2-3,6,8-10,12H,4-5,7H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone?
1-benzofuran-2-yl-(2-methylcyclopentyl)methanone has a molecular weight of 228.29 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107187534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).