ethane;2-methyl-1H-indole-5-carbonitrile

C12H14N2 — CID 143849971

IUPACethane;2-methyl-1H-indole-5-carbonitrile
SMILESCC.Cc1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C10H8N2.C2H6/c1-7-4-9-5-8(6-11)2-3-10(9)12-7;1-2/h2-5,12H,1H3;1-2H3
InChIKeyVFGRHRKGWVPXLP-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.37
Rot. Bonds

About ethane;2-methyl-1H-indole-5-carbonitrile

ethane;2-methyl-1H-indole-5-carbonitrile (PubChem CID 143849971) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is ethane;2-methyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Nameethane;2-methyl-1H-indole-5-carbonitrile
PubChem CID143849971
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Nameethane;2-methyl-1H-indole-5-carbonitrile
SMILESCC.Cc1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C10H8N2.C2H6/c1-7-4-9-5-8(6-11)2-3-10(9)12-7;1-2/h2-5,12H,1H3;1-2H3
InChIKeyVFGRHRKGWVPXLP-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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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-indole-5-carbonitrile?
The IUPAC name of ethane;2-methyl-1H-indole-5-carbonitrile (CID 143849971) is ethane;2-methyl-1H-indole-5-carbonitrile.
What is the SMILES notation for ethane;2-methyl-1H-indole-5-carbonitrile?
The canonical SMILES for ethane;2-methyl-1H-indole-5-carbonitrile is CC.Cc1cc2cc(C#N)ccc2[nH]1.
What is the InChIKey of ethane;2-methyl-1H-indole-5-carbonitrile?
The InChIKey is VFGRHRKGWVPXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C2H6/c1-7-4-9-5-8(6-11)2-3-10(9)12-7;1-2/h2-5,12H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1H-indole-5-carbonitrile?
ethane;2-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;2-methyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 143849971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).