(E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

C15H12N2O4 — CID 5394296

IUPAC(E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1O
InChIInChI=1S/C15H12N2O4/c18-14-7-2-1-6-13(14)16-15(19)9-8-11-4-3-5-12(10-11)17(20)21/h1-10,18H,(H,16,19)/b9-8+
InChIKeyGIXDBIGRSFKQSC-CMDGGOBGSA-N
MW284.27 g/mol
LogP2.95
Rot. Bonds4

About (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

(E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 5394296) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID5394296
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1O
InChIInChI=1S/C15H12N2O4/c18-14-7-2-1-6-13(14)16-15(19)9-8-11-4-3-5-12(10-11)17(20)21/h1-10,18H,(H,16,19)/b9-8+
InChIKeyGIXDBIGRSFKQSC-CMDGGOBGSA-N
XLogP2.95
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 5394296) is (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1O.
What is the InChIKey of (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is GIXDBIGRSFKQSC-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-14-7-2-1-6-13(14)16-15(19)9-8-11-4-3-5-12(10-11)17(20)21/h1-10,18H,(H,16,19)/b9-8+.
What are the key properties of (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 284.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5394296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).