1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone

C10H16O2 — CID 45086456

IUPAC1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone
SMILESC=C(C)[C@@H]1C[C@@H](O)[C@@H](C(C)=O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h8-10,12H,1,4-5H2,2-3H3/t8-,9+,10+/m0/s1
InChIKeyPKPPLNVUIHXPEI-IVZWLZJFSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds2

About 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone

1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone (PubChem CID 45086456) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone
PubChem CID45086456
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone
SMILESC=C(C)[C@@H]1C[C@@H](O)[C@@H](C(C)=O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h8-10,12H,1,4-5H2,2-3H3/t8-,9+,10+/m0/s1
InChIKeyPKPPLNVUIHXPEI-IVZWLZJFSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one
CID 53466025
1-[(1R,2R,4R)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone
CID 45086455
1-(2-Hydroxy-4-prop-1-en-2-ylcyclopentyl)ethanone
CID 130029382
1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone
CID 102051000
3-Hydroxy-2-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
CID 342741
(5S)-1-[(1R,2R,3aR,6aR)-2-hydroxy-5-(5-hydroxypentyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-5,9-dimethyldec-8-en-1-one
CID 57075511
1-[(1R,2R,3aR,6aR)-2-hydroxy-5-(5-hydroxypentyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-9-methyldec-8-en-1-one
CID 57090891
(6S)-6-[(1R,2R,3aS,6aR)-2-hydroxy-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl]-4-methyloctan-3-one
CID 57134790
1-[(1R,2R,3aR,6aR)-2-hydroxy-5-(5-hydroxypentyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-10-methylundec-9-en-1-one
CID 57186255
1-[(1R,2R,3aR,6aR)-2-hydroxy-5-(5-hydroxypentyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]-4,9-dimethyldec-8-en-1-one
CID 57312186
(2S)-2-[(1R,2R)-5,5-dideuterio-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one
CID 58661612
actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one
CID 59090545

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone (CID 45086456) is 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone is C=C(C)[C@@H]1C[C@@H](O)[C@@H](C(C)=O)C1.
What is the InChIKey of 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
The InChIKey is PKPPLNVUIHXPEI-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h8-10,12H,1,4-5H2,2-3H3/t8-,9+,10+/m0/s1.
What are the key properties of 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone?
1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone is sourced from PubChem (CID 45086456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).