2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one

C13H15NO — CID 173287666

IUPAC2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one
SMILESC=CC=C(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C13H15NO/c1-4-8-12(14(2)3)13(15)11-9-6-5-7-10-11/h4-10H,1H2,2-3H3
InChIKeyCMLPZMJQNOHAMV-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.50
Rot. Bonds4

About 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one

2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one (PubChem CID 173287666) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one
PubChem CID173287666
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one
SMILESC=CC=C(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C13H15NO/c1-4-8-12(14(2)3)13(15)11-9-6-5-7-10-11/h4-10H,1H2,2-3H3
InChIKeyCMLPZMJQNOHAMV-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
2-(dimethylamino)-1-phenylprop-2-en-1-one
CID 23037706
(2Z)-2-benzoylpenta-2,4-dienethial
CID 146179532
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
1,2-diphenylethane-1,2-dione;ethenyl(trimethyl)azanium;bromide
CID 174526746
1,2-diphenylethane-1,2-dione bromide
CID 86754555
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
[(1Z)-1-phenylbuta-1,3-dienyl] acetate
CID 141420834

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one?
The IUPAC name of 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one (CID 173287666) is 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one?
The canonical SMILES for 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one is C=CC=C(C(=O)c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one?
The InChIKey is CMLPZMJQNOHAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-8-12(14(2)3)13(15)11-9-6-5-7-10-11/h4-10H,1H2,2-3H3.
What are the key properties of 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one?
2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 173287666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).