2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one

C13H15NO — CID 10631911

IUPAC2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one
SMILESC=C=CC(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/h5-10,12H,1H2,2-3H3
InChIKeyHYLYWRFNTPPZNC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.14
Rot. Bonds4

About 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one

2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one (PubChem CID 10631911) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one
PubChem CID10631911
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one
SMILESC=C=CC(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/h5-10,12H,1H2,2-3H3
InChIKeyHYLYWRFNTPPZNC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-1-phenylpenta-3,4-dien-1-one
CID 101044559
2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
1-phenyl-2-[(Z)-2-phenylbut-2-enyl]butane-1,3-dione
CID 101458406
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
2-methyl-1-phenylpropan-1-one;1-phenylethanone
CID 162124258
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
CID 84571475

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one?
The IUPAC name of 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one (CID 10631911) is 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one?
The canonical SMILES for 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one is C=C=CC(C(=O)c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one?
The InChIKey is HYLYWRFNTPPZNC-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/h5-10,12H,1H2,2-3H3.
What are the key properties of 2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one?
2-(dimethylamino)-1-phenylpenta-3,4-dien-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.14, 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-3,4-dien-1-one is sourced from PubChem (CID 10631911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).