1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one

C11H18O — CID 130840952

IUPAC1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CC1=CCCC1
InChIInChI=1S/C11H18O/c1-11(2,3)10(12)8-9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3
InChIKeyKWEJUWXSJVZSPA-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds2

About 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one

1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 130840952) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one
PubChem CID130840952
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CC1=CCCC1
InChIInChI=1S/C11H18O/c1-11(2,3)10(12)8-9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3
InChIKeyKWEJUWXSJVZSPA-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-cyclobutyl-2-(cyclopenten-1-yl)ethanone
CID 130802985
tert-butyl N-[3-(cyclopenten-1-yl)-2-oxopropyl]-N-methylcarbamate
CID 165471310
tert-butyl 2-(1,2,3,4,7,8-hexahydroazocin-6-yl)acetate
CID 163455770
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 130987790
ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044
1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one
CID 116659708
2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114601
tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate
CID 170129188
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one (CID 130840952) is 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CC1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is KWEJUWXSJVZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,3)10(12)8-9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one?
1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 166.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 130840952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).