1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone

C14H16O — CID 45102105

IUPAC1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=CCCC1c1ccccc1C
InChIInChI=1S/C14H16O/c1-10-6-3-4-7-12(10)14-9-5-8-13(14)11(2)15/h3-4,6-8,14H,5,9H2,1-2H3
InChIKeyLFHYXJHYCWDRTN-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.39
Rot. Bonds2

About 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone

1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone (PubChem CID 45102105) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone
PubChem CID45102105
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=CCCC1c1ccccc1C
InChIInChI=1S/C14H16O/c1-10-6-3-4-7-12(10)14-9-5-8-13(14)11(2)15/h3-4,6-8,14H,5,9H2,1-2H3
InChIKeyLFHYXJHYCWDRTN-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone
CID 45102172
methyl (5S)-5-phenylcyclopentene-1-carboxylate
CID 11401436
(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129258085
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
1-[(2S,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 90396352
1-[(2S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 66694301
3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one
CID 11507774
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
(2,6-dimethylcyclohex-2-en-1-yl)-phenylmethanone
CID 24977107
4-(2-methylphenyl)thiolan-3-one
CID 57014825
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
1-cyclopent-2-en-1-yl-2-methylbenzene
CID 12699492

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone?
The IUPAC name of 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone (CID 45102105) is 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone is CC(=O)C1=CCCC1c1ccccc1C.
What is the InChIKey of 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone?
The InChIKey is LFHYXJHYCWDRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-6-3-4-7-12(10)14-9-5-8-13(14)11(2)15/h3-4,6-8,14H,5,9H2,1-2H3.
What are the key properties of 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone?
1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylphenyl)cyclopenten-1-yl]ethanone is sourced from PubChem (CID 45102105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).