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

C7H9ClO2 — CID 130737245

IUPAC2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@H](O)C1=C(Cl)C(=O)CC1
InChIInChI=1S/C7H9ClO2/c1-4(9)5-2-3-6(10)7(5)8/h4,9H,2-3H2,1H3/t4-/m0/s1
InChIKeyZUSUSTINOYQGKF-BYPYZUCNSA-N
MW160.60 g/mol
LogP1.22
Rot. Bonds1

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

2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one (PubChem CID 130737245) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
PubChem CID130737245
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@H](O)C1=C(Cl)C(=O)CC1
InChIInChI=1S/C7H9ClO2/c1-4(9)5-2-3-6(10)7(5)8/h4,9H,2-3H2,1H3/t4-/m0/s1
InChIKeyZUSUSTINOYQGKF-BYPYZUCNSA-N
XLogP1.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

Trichodenone C
CID 10844704
3-hydroxytrichodenone C
CID 139590701
Dechlorotrichodenone C
CID 10877123
Hypocnone A
CID 146684056
3-(1-Hydroxyethyl)cyclopent-2-enone
CID 21601322
CID 10329571
CID 10329571
3-(1-Hydroxyethyl)-2-methylcyclopent-2-en-1-one
CID 13213985
3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 131160367
2-Chloro-4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one
CID 162815267
5-Chloro-4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one
CID 163113674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The IUPAC name of 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one (CID 130737245) is 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one is C[C@H](O)C1=C(Cl)C(=O)CC1.
What is the InChIKey of 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
The InChIKey is ZUSUSTINOYQGKF-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-4(9)5-2-3-6(10)7(5)8/h4,9H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one?
2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one has a molecular weight of 160.60 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 130737245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).