2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile

C18H14N2OS — CID 3884796

IUPAC2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
SMILESCc1ccsc1C=C(C#N)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H14N2OS/c1-11-7-8-22-16(11)9-13(10-19)18(21)17-12(2)20-15-6-4-3-5-14(15)17/h3-9,20H,1-2H3
InChIKeyNWGIPDVGLXUFPX-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.64
Rot. Bonds3

About 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile

2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile (PubChem CID 3884796) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
PubChem CID3884796
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
SMILESCc1ccsc1C=C(C#N)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H14N2OS/c1-11-7-8-22-16(11)9-13(10-19)18(21)17-12(2)20-15-6-4-3-5-14(15)17/h3-9,20H,1-2H3
InChIKeyNWGIPDVGLXUFPX-UHFFFAOYSA-N
XLogP4.64
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile 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

(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 74766169
(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile
CID 7912469
(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-quinoxalin-2-ylprop-2-enenitrile
CID 9365660
3-(3-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4827524
2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 5226150
(E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 708134
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 3902050
(E)-3-(4-butoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 7971389
(E)-3-(3-ethoxy-2-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 6213625
(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 7326891
3-(1,3-diphenylpyrazol-4-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4257613
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4538642

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile?
The IUPAC name of 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile (CID 3884796) is 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile.
What is the SMILES notation for 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile?
The canonical SMILES for 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile is Cc1ccsc1C=C(C#N)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile?
The InChIKey is NWGIPDVGLXUFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-11-7-8-22-16(11)9-13(10-19)18(21)17-12(2)20-15-6-4-3-5-14(15)17/h3-9,20H,1-2H3.
What are the key properties of 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile?
2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile has a molecular weight of 306.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile is sourced from PubChem (CID 3884796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).