(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one

C16H25NO — CID 44561466

IUPAC(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)N1CCCC1
InChIInChI=1S/C16H25NO/c1-14(2)8-6-9-15(3)10-7-11-16(18)17-12-4-5-13-17/h7-8,10-11H,4-6,9,12-13H2,1-3H3/b11-7+,15-10+
InChIKeyYKCYPKYQYASXOV-HTYBMYLDSA-N
MW247.38 g/mol
LogP3.86
Rot. Bonds5

About (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one

(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one (PubChem CID 44561466) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one.

Molecular Properties

Compound Name(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one
PubChem CID44561466
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)N1CCCC1
InChIInChI=1S/C16H25NO/c1-14(2)8-6-9-15(3)10-7-11-16(18)17-12-4-5-13-17/h7-8,10-11H,4-6,9,12-13H2,1-3H3/b11-7+,15-10+
InChIKeyYKCYPKYQYASXOV-HTYBMYLDSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-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 (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one?
The IUPAC name of (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one (CID 44561466) is (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one.
What is the SMILES notation for (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one?
The canonical SMILES for (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one is CC(C)=CCC/C(C)=C/C=C/C(=O)N1CCCC1.
What is the InChIKey of (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one?
The InChIKey is YKCYPKYQYASXOV-HTYBMYLDSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)8-6-9-15(3)10-7-11-16(18)17-12-4-5-13-17/h7-8,10-11H,4-6,9,12-13H2,1-3H3/b11-7+,15-10+.
What are the key properties of (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one?
(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one is sourced from PubChem (CID 44561466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).