(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one

C14H12N2O — CID 126419124

IUPAC(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one
SMILES[H]N=c1ccn(/C=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12N2O/c15-13-6-9-16(10-7-13)11-8-14(17)12-4-2-1-3-5-12/h1-11,15H/b11-8+
InChIKeyPJLIVHRUZICKLX-DHZHZOJOSA-N
MW224.26 g/mol
LogP2.32
Rot. Bonds3

About (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one

(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one (PubChem CID 126419124) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one
PubChem CID126419124
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one
SMILES[H]N=c1ccn(/C=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12N2O/c15-13-6-9-16(10-7-13)11-8-14(17)12-4-2-1-3-5-12/h1-11,15H/b11-8+
InChIKeyPJLIVHRUZICKLX-DHZHZOJOSA-N
XLogP2.32
TPSA45.85 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-pyrrol-1-ylprop-2-en-1-one
CID 71322360
(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one
CID 15568556
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
CID 2244710
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(E)-4-oxo-N,4-diphenylbut-2-enamide
CID 12588042
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
(E)-4-hydroperoxy-4-methyl-1-phenylpent-2-en-1-one
CID 11424290
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one (CID 126419124) is (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one is [H]N=c1ccn(/C=C/C(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one?
The InChIKey is PJLIVHRUZICKLX-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H12N2O/c15-13-6-9-16(10-7-13)11-8-14(17)12-4-2-1-3-5-12/h1-11,15H/b11-8+.
What are the key properties of (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one?
(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 126419124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).