ethane;2-methyl-1H-indole-6-carbonitrile

C12H14N2 — CID 145238002

IUPACethane;2-methyl-1H-indole-6-carbonitrile
SMILESCC.Cc1cc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C10H8N2.C2H6/c1-7-4-9-3-2-8(6-11)5-10(9)12-7;1-2/h2-5,12H,1H3;1-2H3
InChIKeyCWCYKDHCJYZDAO-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.37
Rot. Bonds

About ethane;2-methyl-1H-indole-6-carbonitrile

ethane;2-methyl-1H-indole-6-carbonitrile (PubChem CID 145238002) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is ethane;2-methyl-1H-indole-6-carbonitrile.

Molecular Properties

Compound Nameethane;2-methyl-1H-indole-6-carbonitrile
PubChem CID145238002
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Nameethane;2-methyl-1H-indole-6-carbonitrile
SMILESCC.Cc1cc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C10H8N2.C2H6/c1-7-4-9-3-2-8(6-11)5-10(9)12-7;1-2/h2-5,12H,1H3;1-2H3
InChIKeyCWCYKDHCJYZDAO-UHFFFAOYSA-N
XLogP3.37
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-1H-indole-6-carbonitrile 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

ethane;2-methyl-1H-indole-5-carbonitrile
CID 143849971
2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile
CID 89486982
2-(1-bromocyclobutyl)-1H-indole-6-carbonitrile
CID 165440583
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(1,1,2,2-tetrafluoroethyl)-3H-benzimidazole-5-carbonitrile
CID 79660838
anthracene-2,6-dicarbonitrile
CID 89012264
2-methyl-1H-indole;hydrofluoride
CID 163912177
2,3-dimethyl-1H-indole-5-carbonitrile
CID 15483079
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
acetic acid;1H-indole-6-carbonitrile
CID 175244295
2,5-dimethyl-1H-imidazole;2,6-dimethyl-1H-indole;methane
CID 159398992
3-ethyl-2-methyl-1H-indole-6-carbonitrile
CID 143660635

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-indole-6-carbonitrile?
The IUPAC name of ethane;2-methyl-1H-indole-6-carbonitrile (CID 145238002) is ethane;2-methyl-1H-indole-6-carbonitrile.
What is the SMILES notation for ethane;2-methyl-1H-indole-6-carbonitrile?
The canonical SMILES for ethane;2-methyl-1H-indole-6-carbonitrile is CC.Cc1cc2ccc(C#N)cc2[nH]1.
What is the InChIKey of ethane;2-methyl-1H-indole-6-carbonitrile?
The InChIKey is CWCYKDHCJYZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C2H6/c1-7-4-9-3-2-8(6-11)5-10(9)12-7;1-2/h2-5,12H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1H-indole-6-carbonitrile?
ethane;2-methyl-1H-indole-6-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-indole-6-carbonitrile is sourced from PubChem (CID 145238002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).