4-(dimethylamino)deca-1,2-dien-5-one

C12H21NO — CID 11424124

IUPAC4-(dimethylamino)deca-1,2-dien-5-one
SMILESC=C=CC(C(=O)CCCCC)N(C)C
InChIInChI=1S/C12H21NO/c1-5-7-8-10-12(14)11(9-6-2)13(3)4/h9,11H,2,5,7-8,10H2,1,3-4H3
InChIKeyXVDFUGLCGLACSD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.41
Rot. Bonds7

About 4-(dimethylamino)deca-1,2-dien-5-one

4-(dimethylamino)deca-1,2-dien-5-one (PubChem CID 11424124) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(dimethylamino)deca-1,2-dien-5-one.

Molecular Properties

Compound Name4-(dimethylamino)deca-1,2-dien-5-one
PubChem CID11424124
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(dimethylamino)deca-1,2-dien-5-one
SMILESC=C=CC(C(=O)CCCCC)N(C)C
InChIInChI=1S/C12H21NO/c1-5-7-8-10-12(14)11(9-6-2)13(3)4/h9,11H,2,5,7-8,10H2,1,3-4H3
InChIKeyXVDFUGLCGLACSD-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)deca-1,2-dien-5-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 4-(dimethylamino)deca-1,2-dien-5-one?
The IUPAC name of 4-(dimethylamino)deca-1,2-dien-5-one (CID 11424124) is 4-(dimethylamino)deca-1,2-dien-5-one.
What is the SMILES notation for 4-(dimethylamino)deca-1,2-dien-5-one?
The canonical SMILES for 4-(dimethylamino)deca-1,2-dien-5-one is C=C=CC(C(=O)CCCCC)N(C)C.
What is the InChIKey of 4-(dimethylamino)deca-1,2-dien-5-one?
The InChIKey is XVDFUGLCGLACSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-8-10-12(14)11(9-6-2)13(3)4/h9,11H,2,5,7-8,10H2,1,3-4H3.
What are the key properties of 4-(dimethylamino)deca-1,2-dien-5-one?
4-(dimethylamino)deca-1,2-dien-5-one has a molecular weight of 195.31 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)deca-1,2-dien-5-one is sourced from PubChem (CID 11424124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).