(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one

C12H21NO — CID 12838021

IUPAC(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one
SMILESCCCCC1CCC(=O)/C1=C\N(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-10-7-8-12(14)11(10)9-13(2)3/h9-10H,4-8H2,1-3H3/b11-9-
InChIKeyAKNJAYONVOEMIX-LUAWRHEFSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds4

About (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one

(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one (PubChem CID 12838021) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one
PubChem CID12838021
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one
SMILESCCCCC1CCC(=O)/C1=C\N(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-10-7-8-12(14)11(10)9-13(2)3/h9-10H,4-8H2,1-3H3/b11-9-
InChIKeyAKNJAYONVOEMIX-LUAWRHEFSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-3-butyl-2-(dimethylaminomethylidene)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 (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one?
The IUPAC name of (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one (CID 12838021) is (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one.
What is the SMILES notation for (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one?
The canonical SMILES for (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one is CCCCC1CCC(=O)/C1=C\N(C)C.
What is the InChIKey of (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one?
The InChIKey is AKNJAYONVOEMIX-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-6-10-7-8-12(14)11(10)9-13(2)3/h9-10H,4-8H2,1-3H3/b11-9-.
What are the key properties of (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one?
(2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-butyl-2-(dimethylaminomethylidene)cyclopentan-1-one is sourced from PubChem (CID 12838021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).