(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide

C19H15N3O2 — CID 729710

IUPAC(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide
SMILESCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-12-14(15-6-2-4-8-17(15)22)10-13(11-20)19(24)21-16-7-3-5-9-18(16)23/h2-10,12,23H,1H3,(H,21,24)/b13-10-
InChIKeyJERRNTIRXOVXGL-RAXLEYEMSA-N
MW317.35 g/mol
LogP3.43
Rot. Bonds3

About (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide

(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide (PubChem CID 729710) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide
PubChem CID729710
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide
SMILESCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-12-14(15-6-2-4-8-17(15)22)10-13(11-20)19(24)21-16-7-3-5-9-18(16)23/h2-10,12,23H,1H3,(H,21,24)/b13-10-
InChIKeyJERRNTIRXOVXGL-RAXLEYEMSA-N
XLogP3.43
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-cyano-3-(1-methylindol-3-yl)prop-2-enamide
CID 3838456
(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 1181744
(E)-N-(3-bromophenyl)-2-cyano-3-(1-methylindol-3-yl)prop-2-enamide
CID 1366456
N-(2-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide
CID 3670215
2-[3-[(E)-3-(2-acetylanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid
CID 11545524
(E)-3-(2-hydroxyphenyl)-2-(1-methylindole-3-carbonyl)prop-2-enenitrile
CID 90671696
(E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 947471
3-[1-(2-amino-2-oxoethyl)indol-3-yl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
CID 4679744
methyl 2-[3-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetate
CID 1130789
ethyl 2-[[3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate
CID 1181981
(E)-2-cyano-N-(2-ethylphenyl)-3-[1-[(3-methylphenyl)methyl]indol-3-yl]prop-2-enamide
CID 17270746
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[1-(cyanomethyl)indol-3-yl]prop-2-enamide
CID 126382305

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide (CID 729710) is (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide is Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2O)c2ccccc21.
What is the InChIKey of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide?
The InChIKey is JERRNTIRXOVXGL-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-22-12-14(15-6-2-4-8-17(15)22)10-13(11-20)19(24)21-16-7-3-5-9-18(16)23/h2-10,12,23H,1H3,(H,21,24)/b13-10-.
What are the key properties of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide has a molecular weight of 317.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(1-methylindol-3-yl)prop-2-enamide is sourced from PubChem (CID 729710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).