2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one

C12H21NO — CID 13199049

IUPAC2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one
SMILESCC(C)=CCC1(N(C)C)CCCC1=O
InChIInChI=1S/C12H21NO/c1-10(2)7-9-12(13(3)4)8-5-6-11(12)14/h7H,5-6,8-9H2,1-4H3
InChIKeyNBUANDAUJUTEJS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.40
Rot. Bonds3

About 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one

2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one (PubChem CID 13199049) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one
PubChem CID13199049
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one
SMILESCC(C)=CCC1(N(C)C)CCCC1=O
InChIInChI=1S/C12H21NO/c1-10(2)7-9-12(13(3)4)8-5-6-11(12)14/h7H,5-6,8-9H2,1-4H3
InChIKeyNBUANDAUJUTEJS-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
The IUPAC name of 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one (CID 13199049) is 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one is CC(C)=CCC1(N(C)C)CCCC1=O.
What is the InChIKey of 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
The InChIKey is NBUANDAUJUTEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)7-9-12(13(3)4)8-5-6-11(12)14/h7H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-methylbut-2-enyl)cyclopentan-1-one is sourced from PubChem (CID 13199049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).