ethane;3-methyl-1H-indole-5-carbonitrile

C12H14N2 — CID 142817780

IUPACethane;3-methyl-1H-indole-5-carbonitrile
SMILESCC.Cc1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C10H8N2.C2H6/c1-7-6-12-10-3-2-8(5-11)4-9(7)10;1-2/h2-4,6,12H,1H3;1-2H3
InChIKeyLNYVMQWFXZNNDN-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.37
Rot. Bonds

About ethane;3-methyl-1H-indole-5-carbonitrile

ethane;3-methyl-1H-indole-5-carbonitrile (PubChem CID 142817780) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is ethane;3-methyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Nameethane;3-methyl-1H-indole-5-carbonitrile
PubChem CID142817780
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Nameethane;3-methyl-1H-indole-5-carbonitrile
SMILESCC.Cc1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C10H8N2.C2H6/c1-7-6-12-10-3-2-8(5-11)4-9(7)10;1-2/h2-4,6,12H,1H3;1-2H3
InChIKeyLNYVMQWFXZNNDN-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

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Related Compounds

4-methylbenzenethiol;3-methyl-1H-indole-5-carbonitrile
CID 142472360
3-acetyl-1H-indole-5-carbonitrile
CID 28505
3,5-dimethyl-1H-indole
CID 142943492
3-(4-methylphenyl)sulfanyl-1H-indole-5-carbonitrile
CID 132941166
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-(2,2-dimethylpropanoyl)-1H-indole-5-carbonitrile
CID 103942640
2,3-dimethyl-1H-indole-5-carbonitrile
CID 15483079
2-(3-methyl-1H-indol-5-yl)butanenitrile
CID 116996552
3-[(E)-but-2-enoyl]-1H-indole-5-carbonitrile
CID 11333292
3-(5-cyano-1H-indol-3-yl)-2,3-dihydroxypropanoic acid
CID 170825364
3-(3-fluoro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919798
3-(2,2-dimethylbutanoyl)-1H-indole-5-carbonitrile
CID 114015915

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-indole-5-carbonitrile?
The IUPAC name of ethane;3-methyl-1H-indole-5-carbonitrile (CID 142817780) is ethane;3-methyl-1H-indole-5-carbonitrile.
What is the SMILES notation for ethane;3-methyl-1H-indole-5-carbonitrile?
The canonical SMILES for ethane;3-methyl-1H-indole-5-carbonitrile is CC.Cc1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of ethane;3-methyl-1H-indole-5-carbonitrile?
The InChIKey is LNYVMQWFXZNNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C2H6/c1-7-6-12-10-3-2-8(5-11)4-9(7)10;1-2/h2-4,6,12H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1H-indole-5-carbonitrile?
ethane;3-methyl-1H-indole-5-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;3-methyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 142817780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).