(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide

C19H21N3O — CID 798433

IUPAC(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide
SMILESC=CCn1c(C)c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C19H21N3O/c1-5-10-22-14(4)17(16-8-6-7-9-18(16)22)11-15(12-20)19(23)21-13(2)3/h5-9,11,13H,1,10H2,2-4H3,(H,21,23)/b15-11-
InChIKeyUSTFRJJCJWKIHN-PTNGSMBKSA-N
MW307.40 g/mol
LogP3.57
Rot. Bonds5

About (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 798433) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide
PubChem CID798433
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide
SMILESC=CCn1c(C)c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C19H21N3O/c1-5-10-22-14(4)17(16-8-6-7-9-18(16)22)11-15(12-20)19(23)21-13(2)3/h5-9,11,13H,1,10H2,2-4H3,(H,21,23)/b15-11-
InChIKeyUSTFRJJCJWKIHN-PTNGSMBKSA-N
XLogP3.57
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide (CID 798433) is (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide is C=CCn1c(C)c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc21.
What is the InChIKey of (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is USTFRJJCJWKIHN-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H21N3O/c1-5-10-22-14(4)17(16-8-6-7-9-18(16)22)11-15(12-20)19(23)21-13(2)3/h5-9,11,13H,1,10H2,2-4H3,(H,21,23)/b15-11-.
What are the key properties of (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 307.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-methyl-1-prop-2-enylindol-3-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 798433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).