3-methyl-1H-indene-2-carbonitrile

C11H9N — CID 2753059

IUPAC3-methyl-1H-indene-2-carbonitrile
SMILESCC1=C(C#N)Cc2ccccc21
InChIInChI=1S/C11H9N/c1-8-10(7-12)6-9-4-2-3-5-11(8)9/h2-5H,6H2,1H3
InChIKeyFWLFHRGZIOSAOB-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.54
Rot. Bonds

About 3-methyl-1H-indene-2-carbonitrile

3-methyl-1H-indene-2-carbonitrile (PubChem CID 2753059) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-methyl-1H-indene-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-1H-indene-2-carbonitrile
PubChem CID2753059
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC Name3-methyl-1H-indene-2-carbonitrile
SMILESCC1=C(C#N)Cc2ccccc21
InChIInChI=1S/C11H9N/c1-8-10(7-12)6-9-4-2-3-5-11(8)9/h2-5H,6H2,1H3
InChIKeyFWLFHRGZIOSAOB-UHFFFAOYSA-N
XLogP2.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-indene-2-carbonitrile?
The IUPAC name of 3-methyl-1H-indene-2-carbonitrile (CID 2753059) is 3-methyl-1H-indene-2-carbonitrile.
What is the SMILES notation for 3-methyl-1H-indene-2-carbonitrile?
The canonical SMILES for 3-methyl-1H-indene-2-carbonitrile is CC1=C(C#N)Cc2ccccc21.
What is the InChIKey of 3-methyl-1H-indene-2-carbonitrile?
The InChIKey is FWLFHRGZIOSAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N/c1-8-10(7-12)6-9-4-2-3-5-11(8)9/h2-5H,6H2,1H3.
What are the key properties of 3-methyl-1H-indene-2-carbonitrile?
3-methyl-1H-indene-2-carbonitrile has a molecular weight of 155.20 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-indene-2-carbonitrile is sourced from PubChem (CID 2753059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).