2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one

C17H16N2O — CID 66616036

IUPAC2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
SMILESNC(=Cc1ccccc1)C(=O)C(N)=Cc1ccccc1
InChIInChI=1S/C17H16N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-12H,18-19H2
InChIKeyNJJQKUCTKNDSPO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.56
Rot. Bonds4

About 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one

2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one (PubChem CID 66616036) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
PubChem CID66616036
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
SMILESNC(=Cc1ccccc1)C(=O)C(N)=Cc1ccccc1
InChIInChI=1S/C17H16N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-12H,18-19H2
InChIKeyNJJQKUCTKNDSPO-UHFFFAOYSA-N
XLogP2.56
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70617640
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(Z)-3-amino-4-phenyl-1-sulfanylidene-1-(1,3-thiazinan-3-yl)but-3-en-2-one
CID 142869078
3-methyl-4-phenylbut-3-enamide
CID 23660
2-benzylidenebutanediamide
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2-(fluoromethyl)-3-phenylprop-2-enamide
CID 151130923
(2E)-2-benzylidene-3-methylbutanamide
CID 20836396
2-benzylidene-3,3-dimethylbutanamide
CID 67615260
2-hydroxy-3-phenylprop-2-enoic acid;methane
CID 66953163
germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173
(Z)-1-[2-[(Z)-1-amino-2-phenylethenyl]phenyl]-2-phenylethenamine
CID 126612828

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one?
The IUPAC name of 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one (CID 66616036) is 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one.
What is the SMILES notation for 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one?
The canonical SMILES for 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one is NC(=Cc1ccccc1)C(=O)C(N)=Cc1ccccc1.
What is the InChIKey of 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one?
The InChIKey is NJJQKUCTKNDSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-12H,18-19H2.
What are the key properties of 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one?
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one has a molecular weight of 264.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one is sourced from PubChem (CID 66616036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).