(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one

C16H15NO — CID 5376861

IUPAC(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCc1ccc(/C(N)=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-12-7-9-13(10-8-12)15(17)11-16(18)14-5-3-2-4-6-14/h2-11H,17H2,1H3/b15-11-
InChIKeyPIIXWKIYIRGSFA-PTNGSMBKSA-N
MW237.30 g/mol
LogP3.18
Rot. Bonds3

About (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one

(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 5376861) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
PubChem CID5376861
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCc1ccc(/C(N)=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-12-7-9-13(10-8-12)15(17)11-16(18)14-5-3-2-4-6-14/h2-11H,17H2,1H3/b15-11-
InChIKeyPIIXWKIYIRGSFA-PTNGSMBKSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.18
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

(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
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-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
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 54579039
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
benzoic acid;4-methylbenzoic acid
CID 71272637
sodium;3-amino-1-phenylbut-2-en-1-one;hydride
CID 173426072

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (CID 5376861) is (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is Cc1ccc(/C(N)=C/C(=O)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is PIIXWKIYIRGSFA-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-7-9-13(10-8-12)15(17)11-16(18)14-5-3-2-4-6-14/h2-11H,17H2,1H3/b15-11-.
What are the key properties of (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5376861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).