2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one

C13H14O2 — CID 131052588

IUPAC2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc2c(c1)OCC2
InChIInChI=1S/C13H14O2/c14-12-3-1-2-11(12)10-5-4-9-6-7-15-13(9)8-10/h4-5,8,11H,1-3,6-7H2
InChIKeyJYQWOXDNTNWDPC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.46
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one

2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one (PubChem CID 131052588) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one
PubChem CID131052588
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc2c(c1)OCC2
InChIInChI=1S/C13H14O2/c14-12-3-1-2-11(12)10-5-4-9-6-7-15-13(9)8-10/h4-5,8,11H,1-3,6-7H2
InChIKeyJYQWOXDNTNWDPC-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
CID 96748686
2-(4-bromo-3-chlorophenyl)cyclopentan-1-one
CID 130040614
2-(4-hydroxyphenyl)cyclohexan-1-one
CID 14548752
6-nitroso-2,3-dihydro-1-benzofuran
CID 143738609
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
2-(3-amino-4-phenylphenyl)cyclohexan-1-one
CID 67819816
4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid
CID 82624016
2-[2-(2,3-dihydro-1-benzofuran-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid
CID 171618610
6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine
CID 82390274
2-(2,3-dihydro-1-benzofuran-6-ylmethyl)cyclopentan-1-amine
CID 82393396
2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one
CID 172782601
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one (CID 131052588) is 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one is O=C1CCCC1c1ccc2c(c1)OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one?
The InChIKey is JYQWOXDNTNWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-12-3-1-2-11(12)10-5-4-9-6-7-15-13(9)8-10/h4-5,8,11H,1-3,6-7H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one?
2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-6-yl)cyclopentan-1-one is sourced from PubChem (CID 131052588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).