3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one

C7H10O2 — CID 131160367

IUPAC3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@H](O)C1=CC(=O)CC1
InChIInChI=1S/C7H10O2/c1-5(8)6-2-3-7(9)4-6/h4-5,8H,2-3H2,1H3/t5-/m0/s1
InChIKeyYYSLYKYKAWEKGZ-YFKPBYRVSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds1

About 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one

3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one (PubChem CID 131160367) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
PubChem CID131160367
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@H](O)C1=CC(=O)CC1
InChIInChI=1S/C7H10O2/c1-5(8)6-2-3-7(9)4-6/h4-5,8H,2-3H2,1H3/t5-/m0/s1
InChIKeyYYSLYKYKAWEKGZ-YFKPBYRVSA-N
XLogP0.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylpentan-2-yl)cyclopent-2-en-1-one
CID 130689941
2-(3-oxocyclohexen-1-yl)propanoic acid
CID 57371339
3-methylcyclopent-2-en-1-one
CID 162114643
N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788692
ethane;3-methylcyclopent-2-en-1-one;propane-2,2-diol
CID 155705455
3-[(4-chlorophenyl)-hydroxymethyl]cyclohex-2-en-1-one
CID 3765071
methyl 2-methyl-4-oxo-1-propan-2-ylcyclohex-2-ene-1-carboxylate
CID 131859536
6-acetylcyclohept-5-ene-1,4-dione
CID 11052011
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
CID 104788696
3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
CID 104787771
3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one
CID 104788324
3-(3-methylpentan-2-ylamino)cyclopent-2-en-1-one
CID 104788369

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one (CID 131160367) is 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one is C[C@H](O)C1=CC(=O)CC1.
What is the InChIKey of 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The InChIKey is YYSLYKYKAWEKGZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10O2/c1-5(8)6-2-3-7(9)4-6/h4-5,8H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 131160367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).