(Z)-3-amino-1,3-diphenylprop-2-en-1-one

C15H13NO — CID 5376383

IUPAC(Z)-3-amino-1,3-diphenylprop-2-en-1-one
SMILESN/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H,16H2/b14-11-
InChIKeyCDFSTMGURUSUMJ-KAMYIIQDSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds3

About (Z)-3-amino-1,3-diphenylprop-2-en-1-one

(Z)-3-amino-1,3-diphenylprop-2-en-1-one (PubChem CID 5376383) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (Z)-3-amino-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-1,3-diphenylprop-2-en-1-one
PubChem CID5376383
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(Z)-3-amino-1,3-diphenylprop-2-en-1-one
SMILESN/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H,16H2/b14-11-
InChIKeyCDFSTMGURUSUMJ-KAMYIIQDSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
sodium;3-amino-1-phenylbut-2-en-1-one;hydride
CID 173426072
(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882
3-amino-4,4,4-trichloro-1-phenylbut-2-en-1-one
CID 67682583
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
3-amino-3-phenylprop-2-enethioamide
CID 71410978

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-amino-1,3-diphenylprop-2-en-1-one (CID 5376383) is (Z)-3-amino-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-amino-1,3-diphenylprop-2-en-1-one is N/C(=C\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-amino-1,3-diphenylprop-2-en-1-one?
The InChIKey is CDFSTMGURUSUMJ-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H13NO/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H,16H2/b14-11-.
What are the key properties of (Z)-3-amino-1,3-diphenylprop-2-en-1-one?
(Z)-3-amino-1,3-diphenylprop-2-en-1-one has a molecular weight of 223.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 5376383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).