2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one

C8H12O2 — CID 130028580

IUPAC2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
SMILESC=CC1(O)C(=O)CCC1C
InChIInChI=1S/C8H12O2/c1-3-8(10)6(2)4-5-7(8)9/h3,6,10H,1,4-5H2,2H3
InChIKeyUPARAALAIXZVAZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.90
Rot. Bonds1

About 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one

2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one (PubChem CID 130028580) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
PubChem CID130028580
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
SMILESC=CC1(O)C(=O)CCC1C
InChIInChI=1S/C8H12O2/c1-3-8(10)6(2)4-5-7(8)9/h3,6,10H,1,4-5H2,2H3
InChIKeyUPARAALAIXZVAZ-UHFFFAOYSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.90
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-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one
CID 14470980
trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338732
cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338731
2,3-dimethyl-2-methylsulfanylcyclopentan-1-one
CID 12861275
cis-(3S,4R)-2-hydroxy-2,3,4-trimethylcyclohexan-1-one
CID 10920759
trans-methyl (2S,3R)-2-ethenyl-2,3-dimethyl-6-oxocyclohexane-1-carboxylate
CID 11651394
trans-methyl (1R,2S)-1,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 11116480
2,2,3-trimethylcyclopentan-1-ol;2,2,3-trimethylcyclopentan-1-one
CID 157414716
2-(2-methyl-5-oxo-1-prop-2-enylcyclopentyl)ethyl benzoate
CID 139984002
4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one
CID 141082850
(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10262981
5,6,6-trimethyloxan-2-one
CID 20872380

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one?
The IUPAC name of 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one (CID 130028580) is 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one.
What is the SMILES notation for 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one?
The canonical SMILES for 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one is C=CC1(O)C(=O)CCC1C.
What is the InChIKey of 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one?
The InChIKey is UPARAALAIXZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(10)6(2)4-5-7(8)9/h3,6,10H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one?
2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one has a molecular weight of 140.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one is sourced from PubChem (CID 130028580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).