3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one

C15H19NO — CID 12688061

IUPAC3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one
SMILESC=C=C(c1ccccc1)C(C)(C(C)=O)N(C)C
InChIInChI=1S/C15H19NO/c1-6-14(13-10-8-7-9-11-13)15(3,12(2)17)16(4)5/h7-11H,1H2,2-5H3
InChIKeyRLWYSVBKOIOVCU-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.76
Rot. Bonds4

About 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one

3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one (PubChem CID 12688061) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one
PubChem CID12688061
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one
SMILESC=C=C(c1ccccc1)C(C)(C(C)=O)N(C)C
InChIInChI=1S/C15H19NO/c1-6-14(13-10-8-7-9-11-13)15(3,12(2)17)16(4)5/h7-11H,1H2,2-5H3
InChIKeyRLWYSVBKOIOVCU-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-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 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one?
The IUPAC name of 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one (CID 12688061) is 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one?
The canonical SMILES for 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one is C=C=C(c1ccccc1)C(C)(C(C)=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one?
The InChIKey is RLWYSVBKOIOVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-6-14(13-10-8-7-9-11-13)15(3,12(2)17)16(4)5/h7-11H,1H2,2-5H3.
What are the key properties of 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one?
3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one has a molecular weight of 229.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-4-phenylhexa-4,5-dien-2-one is sourced from PubChem (CID 12688061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).