5,7-dimethyl-1H-indole-6-carbonitrile

C11H10N2 — CID 129148975

IUPAC5,7-dimethyl-1H-indole-6-carbonitrile
SMILESCc1cc2cc[nH]c2c(C)c1C#N
InChIInChI=1S/C11H10N2/c1-7-5-9-3-4-13-11(9)8(2)10(7)6-12/h3-5,13H,1-2H3
InChIKeyIXDCCSXGFDGRQP-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.66
Rot. Bonds

About 5,7-dimethyl-1H-indole-6-carbonitrile

5,7-dimethyl-1H-indole-6-carbonitrile (PubChem CID 129148975) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5,7-dimethyl-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name5,7-dimethyl-1H-indole-6-carbonitrile
PubChem CID129148975
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name5,7-dimethyl-1H-indole-6-carbonitrile
SMILESCc1cc2cc[nH]c2c(C)c1C#N
InChIInChI=1S/C11H10N2/c1-7-5-9-3-4-13-11(9)8(2)10(7)6-12/h3-5,13H,1-2H3
InChIKeyIXDCCSXGFDGRQP-UHFFFAOYSA-N
XLogP2.66
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-1H-indole-7-carbonitrile
CID 129148924
6,7-difluoro-1H-indole-5-carbonitrile
CID 118989891
6-bromo-7-methyl-1H-indole
CID 24729281
6-iodo-2,4-dimethylpyridine-3-carbonitrile
CID 89146475
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351
3,6-dimethylbenzene-1,2,4-tricarbonitrile
CID 12732461
4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82077939
3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile
CID 166395343
2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile
CID 59975018
CID 20574287
CID 20574287
2-(7-methyl-1H-indol-5-yl)ethanamine
CID 84766718
methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium
CID 89248896

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1H-indole-6-carbonitrile?
The IUPAC name of 5,7-dimethyl-1H-indole-6-carbonitrile (CID 129148975) is 5,7-dimethyl-1H-indole-6-carbonitrile.
What is the SMILES notation for 5,7-dimethyl-1H-indole-6-carbonitrile?
The canonical SMILES for 5,7-dimethyl-1H-indole-6-carbonitrile is Cc1cc2cc[nH]c2c(C)c1C#N.
What is the InChIKey of 5,7-dimethyl-1H-indole-6-carbonitrile?
The InChIKey is IXDCCSXGFDGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-7-5-9-3-4-13-11(9)8(2)10(7)6-12/h3-5,13H,1-2H3.
What are the key properties of 5,7-dimethyl-1H-indole-6-carbonitrile?
5,7-dimethyl-1H-indole-6-carbonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1H-indole-6-carbonitrile is sourced from PubChem (CID 129148975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).