5-ethenyl-3-methyliminononan-2-one

C12H21NO — CID 129215479

IUPAC5-ethenyl-3-methyliminononan-2-one
SMILESC=CC(CCCC)C/C(=N/C)C(C)=O
InChIInChI=1S/C12H21NO/c1-5-7-8-11(6-2)9-12(13-4)10(3)14/h6,11H,2,5,7-9H2,1,3-4H3/b13-12-
InChIKeyZILYKZXPBGNVPQ-SEYXRHQNSA-N
MW195.31 g/mol
LogP3.03
Rot. Bonds7

About 5-ethenyl-3-methyliminononan-2-one

5-ethenyl-3-methyliminononan-2-one (PubChem CID 129215479) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-ethenyl-3-methyliminononan-2-one.

Molecular Properties

Compound Name5-ethenyl-3-methyliminononan-2-one
PubChem CID129215479
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-ethenyl-3-methyliminononan-2-one
SMILESC=CC(CCCC)C/C(=N/C)C(C)=O
InChIInChI=1S/C12H21NO/c1-5-7-8-11(6-2)9-12(13-4)10(3)14/h6,11H,2,5,7-9H2,1,3-4H3/b13-12-
InChIKeyZILYKZXPBGNVPQ-SEYXRHQNSA-N
XLogP3.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-ethenyl-3-methyliminononan-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

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methyliminononan-2-one?
The IUPAC name of 5-ethenyl-3-methyliminononan-2-one (CID 129215479) is 5-ethenyl-3-methyliminononan-2-one.
What is the SMILES notation for 5-ethenyl-3-methyliminononan-2-one?
The canonical SMILES for 5-ethenyl-3-methyliminononan-2-one is C=CC(CCCC)C/C(=N/C)C(C)=O.
What is the InChIKey of 5-ethenyl-3-methyliminononan-2-one?
The InChIKey is ZILYKZXPBGNVPQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-8-11(6-2)9-12(13-4)10(3)14/h6,11H,2,5,7-9H2,1,3-4H3/b13-12-.
What are the key properties of 5-ethenyl-3-methyliminononan-2-one?
5-ethenyl-3-methyliminononan-2-one has a molecular weight of 195.31 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyliminononan-2-one is sourced from PubChem (CID 129215479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).