2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one

C11H17NO — CID 13153051

IUPAC2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one
SMILESC=C=C(C)C1(N(C)C)CCCC1=O
InChIInChI=1S/C11H17NO/c1-5-9(2)11(12(3)4)8-6-7-10(11)13/h1,6-8H2,2-4H3
InChIKeyFBJJBJRASXRWEH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.77
Rot. Bonds2

About 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one

2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one (PubChem CID 13153051) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one.

Molecular Properties

Compound Name2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one
PubChem CID13153051
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one
SMILESC=C=C(C)C1(N(C)C)CCCC1=O
InChIInChI=1S/C11H17NO/c1-5-9(2)11(12(3)4)8-6-7-10(11)13/h1,6-8H2,2-4H3
InChIKeyFBJJBJRASXRWEH-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-buta-2,3-dien-2-yl-2-(dimethylamino)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-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one?
The IUPAC name of 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one (CID 13153051) is 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one.
What is the SMILES notation for 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one?
The canonical SMILES for 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one is C=C=C(C)C1(N(C)C)CCCC1=O.
What is the InChIKey of 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one?
The InChIKey is FBJJBJRASXRWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-9(2)11(12(3)4)8-6-7-10(11)13/h1,6-8H2,2-4H3.
What are the key properties of 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one?
2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dien-2-yl-2-(dimethylamino)cyclopentan-1-one is sourced from PubChem (CID 13153051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).