1-[(1R,3R)-3-benzylcyclopentyl]ethanone

C14H18O — CID 159558232

IUPAC1-[(1R,3R)-3-benzylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11(15)14-8-7-13(10-14)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14+/m0/s1
InChIKeySVBXLEKMBCFHKN-UONOGXRCSA-N
MW202.30 g/mol
LogP3.23
Rot. Bonds3

About 1-[(1R,3R)-3-benzylcyclopentyl]ethanone

1-[(1R,3R)-3-benzylcyclopentyl]ethanone (PubChem CID 159558232) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(1R,3R)-3-benzylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-3-benzylcyclopentyl]ethanone
PubChem CID159558232
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[(1R,3R)-3-benzylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C14H18O/c1-11(15)14-8-7-13(10-14)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14+/m0/s1
InChIKeySVBXLEKMBCFHKN-UONOGXRCSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide
CID 157423820
1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone
CID 160940041
carbon dioxide;trans-benzyl (1S,3S)-3-benzylcyclopentane-1-carboxylate
CID 157404672
1-[(1R,3R)-3-[(3-bromophenyl)methyl]cyclopentyl]ethanone;1-[(1S,3R)-3-[(3-bromophenyl)methyl]-4-hydroxycyclopentyl]ethanone
CID 160647934
lithium;5-benzyl-1-methylpiperidine-3-carboxylic acid;1-(5-benzyl-1-methylpiperidin-3-yl)ethanone;hydroxide
CID 159845430
3-(3-acetylcyclopentyl)-2,2-dimethyl-1-phenylpropan-1-one
CID 166695419
5-benzyl-2-methylcyclohexan-1-ol
CID 174712973
1-[(1R,3R)-3-[(4-phenylthiophen-2-yl)methyl]cyclopentyl]ethanone;trans-(1R,3R)-3-[(4-phenylthiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 159051586
cyclopropylmethylbenzene;ethane;methane
CID 142248267
benzyl 2-[(1S,3R)-3-acetylcyclohexyl]acetate
CID 158241246
1-[(1R,3R)-3-[[2-(5-chlorothiophen-2-yl)phenyl]methyl]cyclopentyl]ethanone;trans-(1R,3R)-3-[[2-(5-chlorothiophen-2-yl)phenyl]methyl]cyclopentane-1-carboxylic acid
CID 157495252
1,3-dibenzylcyclooctane
CID 3045388

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-benzylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,3R)-3-benzylcyclopentyl]ethanone (CID 159558232) is 1-[(1R,3R)-3-benzylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,3R)-3-benzylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,3R)-3-benzylcyclopentyl]ethanone is CC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1.
What is the InChIKey of 1-[(1R,3R)-3-benzylcyclopentyl]ethanone?
The InChIKey is SVBXLEKMBCFHKN-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18O/c1-11(15)14-8-7-13(10-14)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of 1-[(1R,3R)-3-benzylcyclopentyl]ethanone?
1-[(1R,3R)-3-benzylcyclopentyl]ethanone has a molecular weight of 202.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-benzylcyclopentyl]ethanone is sourced from PubChem (CID 159558232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).