(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one

C14H12N2O — CID 102588923

IUPAC(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESNc1ccccc1C(=O)/C=C/c1ccccn1
InChIInChI=1S/C14H12N2O/c15-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-16-11/h1-10H,15H2/b9-8+
InChIKeySSOMUOSONHCHFT-CMDGGOBGSA-N
MW224.26 g/mol
LogP2.56
Rot. Bonds3

About (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one

(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 102588923) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
PubChem CID102588923
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESNc1ccccc1C(=O)/C=C/c1ccccn1
InChIInChI=1S/C14H12N2O/c15-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-16-11/h1-10H,15H2/b9-8+
InChIKeySSOMUOSONHCHFT-CMDGGOBGSA-N
XLogP2.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-pyridin-2-yl-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 170746428
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
(E)-1-(2-aminophenyl)-3-trimethylsilylprop-2-en-1-one
CID 90137260
(1E,4E,6E)-1,7-dipyridin-2-ylhepta-1,4,6-trien-3-one
CID 127039581
CID 11573267
CID 11573267
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
1-(2-aminophenyl)-3-(1-tritylimidazol-2-yl)prop-2-en-1-one
CID 54056735
1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one
CID 142752382
(E)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 6305667

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one (CID 102588923) is (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one is Nc1ccccc1C(=O)/C=C/c1ccccn1.
What is the InChIKey of (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is SSOMUOSONHCHFT-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12N2O/c15-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-16-11/h1-10H,15H2/b9-8+.
What are the key properties of (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one?
(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 102588923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).