3-but-3-enyl-2-methylcyclopent-2-en-1-one

C10H14O — CID 10261250

IUPAC3-but-3-enyl-2-methylcyclopent-2-en-1-one
SMILESC=CCCC1=C(C)C(=O)CC1
InChIInChI=1S/C10H14O/c1-3-4-5-9-6-7-10(11)8(9)2/h3H,1,4-7H2,2H3
InChIKeyXMUGGVRVCICQBV-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.63
Rot. Bonds3

About 3-but-3-enyl-2-methylcyclopent-2-en-1-one

3-but-3-enyl-2-methylcyclopent-2-en-1-one (PubChem CID 10261250) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-but-3-enyl-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-but-3-enyl-2-methylcyclopent-2-en-1-one
PubChem CID10261250
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-but-3-enyl-2-methylcyclopent-2-en-1-one
SMILESC=CCCC1=C(C)C(=O)CC1
InChIInChI=1S/C10H14O/c1-3-4-5-9-6-7-10(11)8(9)2/h3H,1,4-7H2,2H3
InChIKeyXMUGGVRVCICQBV-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hex-5-enyl-2-methylcyclopent-2-en-1-one
CID 71327503
2-but-3-enyl-3-methylcyclopent-2-en-1-one
CID 13024689
3-(3,3-diethoxypropyl)-2-methylcyclopent-2-en-1-one
CID 58101230
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
CID 160607365
1-but-3-enyl-2-nitrocyclopentene
CID 11229002
3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one
CID 130792829
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
5-but-3-enyl-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
CID 23462549
2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene
CID 83940244
3-but-3-enoyl-2,4,4-trimethylcyclohex-2-en-1-one
CID 14676450
3-but-3-enyl-5-methyl-1,2-oxazole
CID 15073752
4-but-3-enyl-1,3,5-trimethyl-2H-imidazole
CID 154959631

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-but-3-enyl-2-methylcyclopent-2-en-1-one (CID 10261250) is 3-but-3-enyl-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-but-3-enyl-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-but-3-enyl-2-methylcyclopent-2-en-1-one is C=CCCC1=C(C)C(=O)CC1.
What is the InChIKey of 3-but-3-enyl-2-methylcyclopent-2-en-1-one?
The InChIKey is XMUGGVRVCICQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-5-9-6-7-10(11)8(9)2/h3H,1,4-7H2,2H3.
What are the key properties of 3-but-3-enyl-2-methylcyclopent-2-en-1-one?
3-but-3-enyl-2-methylcyclopent-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 10261250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).