(E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide

C17H13N3O3 — CID 135609425

IUPAC(E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide
SMILESN#C/C(=C\c1ccccc1O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H13N3O3/c18-10-14(9-12-5-1-3-7-15(12)21)17(23)20-19-11-13-6-2-4-8-16(13)22/h1-9,11,21-22H,(H,20,23)/b14-9+,19-11+
InChIKeyXJNGNPUCFXYSCS-XDUHZVATSA-N
MW307.31 g/mol
LogP2.16
Rot. Bonds4

About (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide

(E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide (PubChem CID 135609425) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide
PubChem CID135609425
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name(E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide
SMILESN#C/C(=C\c1ccccc1O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H13N3O3/c18-10-14(9-12-5-1-3-7-15(12)21)17(23)20-19-11-13-6-2-4-8-16(13)22/h1-9,11,21-22H,(H,20,23)/b14-9+,19-11+
InChIKeyXJNGNPUCFXYSCS-XDUHZVATSA-N
XLogP2.16
TPSA105.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Nsc204792
CID 135459102
Mls002667267
CID 241689
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]butanehydrazide
CID 135521411
1,5-Bis(salicylidene)carbohydrazide
CID 96015
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-hydroxyphenyl)methylidene]butanehydrazide
CID 135521519
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411
1,3-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
CID 135408529

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide (CID 135609425) is (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide is N#C/C(=C\c1ccccc1O)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide?
The InChIKey is XJNGNPUCFXYSCS-XDUHZVATSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-10-14(9-12-5-1-3-7-15(12)21)17(23)20-19-11-13-6-2-4-8-16(13)22/h1-9,11,21-22H,(H,20,23)/b14-9+,19-11+.
What are the key properties of (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide?
(E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide has a molecular weight of 307.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-hydroxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]prop-2-enamide is sourced from PubChem (CID 135609425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).