1-cyclobutyl-6-methylindole-3-carbonitrile

C14H14N2 — CID 58490959

IUPAC1-cyclobutyl-6-methylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)cn(C3CCC3)c2c1
InChIInChI=1S/C14H14N2/c1-10-5-6-13-11(8-15)9-16(14(13)7-10)12-3-2-4-12/h5-7,9,12H,2-4H2,1H3
InChIKeyMJKNMZUQBRTUME-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.55
Rot. Bonds1

About 1-cyclobutyl-6-methylindole-3-carbonitrile

1-cyclobutyl-6-methylindole-3-carbonitrile (PubChem CID 58490959) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-cyclobutyl-6-methylindole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-6-methylindole-3-carbonitrile
PubChem CID58490959
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-cyclobutyl-6-methylindole-3-carbonitrile
SMILESCc1ccc2c(C#N)cn(C3CCC3)c2c1
InChIInChI=1S/C14H14N2/c1-10-5-6-13-11(8-15)9-16(14(13)7-10)12-3-2-4-12/h5-7,9,12H,2-4H2,1H3
InChIKeyMJKNMZUQBRTUME-UHFFFAOYSA-N
XLogP3.55
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-methylindole-3-carbonitrile?
The IUPAC name of 1-cyclobutyl-6-methylindole-3-carbonitrile (CID 58490959) is 1-cyclobutyl-6-methylindole-3-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-6-methylindole-3-carbonitrile?
The canonical SMILES for 1-cyclobutyl-6-methylindole-3-carbonitrile is Cc1ccc2c(C#N)cn(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-6-methylindole-3-carbonitrile?
The InChIKey is MJKNMZUQBRTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-10-5-6-13-11(8-15)9-16(14(13)7-10)12-3-2-4-12/h5-7,9,12H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-6-methylindole-3-carbonitrile?
1-cyclobutyl-6-methylindole-3-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-methylindole-3-carbonitrile is sourced from PubChem (CID 58490959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).