1-cyclopropyl-2-methylindole-6-carbonitrile

C13H12N2 — CID 115020693

IUPAC1-cyclopropyl-2-methylindole-6-carbonitrile
SMILESCc1cc2ccc(C#N)cc2n1C1CC1
InChIInChI=1S/C13H12N2/c1-9-6-11-3-2-10(8-14)7-13(11)15(9)12-4-5-12/h2-3,6-7,12H,4-5H2,1H3
InChIKeySAHYFKXDIRRWQP-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.16
Rot. Bonds1

About 1-cyclopropyl-2-methylindole-6-carbonitrile

1-cyclopropyl-2-methylindole-6-carbonitrile (PubChem CID 115020693) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylindole-6-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-methylindole-6-carbonitrile
PubChem CID115020693
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1-cyclopropyl-2-methylindole-6-carbonitrile
SMILESCc1cc2ccc(C#N)cc2n1C1CC1
InChIInChI=1S/C13H12N2/c1-9-6-11-3-2-10(8-14)7-13(11)15(9)12-4-5-12/h2-3,6-7,12H,4-5H2,1H3
InChIKeySAHYFKXDIRRWQP-UHFFFAOYSA-N
XLogP3.16
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile
CID 135188054
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79808607
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
1-(benzenesulfonyl)-2-methylindole-6-carbonitrile
CID 170985237
1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 65040130
2-amino-3-(1,1-dioxothian-4-yl)benzimidazole-5-carbonitrile
CID 104714851
1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
CID 115950372
1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylindole-6-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-methylindole-6-carbonitrile (CID 115020693) is 1-cyclopropyl-2-methylindole-6-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-methylindole-6-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-methylindole-6-carbonitrile is Cc1cc2ccc(C#N)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylindole-6-carbonitrile?
The InChIKey is SAHYFKXDIRRWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-9-6-11-3-2-10(8-14)7-13(11)15(9)12-4-5-12/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of 1-cyclopropyl-2-methylindole-6-carbonitrile?
1-cyclopropyl-2-methylindole-6-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylindole-6-carbonitrile is sourced from PubChem (CID 115020693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).