2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one

C10H16O2 — CID 85299271

IUPAC2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
SMILESC=CCCC1(C)C(=O)CCC1O
InChIInChI=1S/C10H16O2/c1-3-4-7-10(2)8(11)5-6-9(10)12/h3,8,11H,1,4-7H2,2H3
InChIKeyRKGYWSQHFIIWGP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds3

About 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one

2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one (PubChem CID 85299271) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
PubChem CID85299271
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
SMILESC=CCCC1(C)C(=O)CCC1O
InChIInChI=1S/C10H16O2/c1-3-4-7-10(2)8(11)5-6-9(10)12/h3,8,11H,1,4-7H2,2H3
InChIKeyRKGYWSQHFIIWGP-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
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-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
trans-(2R,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11229012
trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
trans-(2S,3R)-3-hydroxy-2-methyl-2-(2-nitroethyl)cyclopentan-1-one
CID 131591888
trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 53382000
cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 53381704
cis-(2S,3S)-2-methyl-3-propan-2-yl-2-prop-2-enylcyclopentan-1-one
CID 11171336
cis-(2S,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 11230049
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol
CID 130831750
(3R)-3-but-3-enyl-7-ethenyl-3,5-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 135022639
trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338732

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
The IUPAC name of 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one (CID 85299271) is 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one.
What is the SMILES notation for 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
The canonical SMILES for 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one is C=CCCC1(C)C(=O)CCC1O.
What is the InChIKey of 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
The InChIKey is RKGYWSQHFIIWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-7-10(2)8(11)5-6-9(10)12/h3,8,11H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one is sourced from PubChem (CID 85299271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).