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

C11H11N — CID 21040228

IUPAC3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCC1CC(C#N)c2ccccc21
InChIInChI=1S/C11H11N/c1-8-6-9(7-12)11-5-3-2-4-10(8)11/h2-5,8-9H,6H2,1H3
InChIKeyBACWSILAEFBTQV-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.80
Rot. Bonds

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

3-methyl-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 21040228) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID21040228
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCC1CC(C#N)c2ccccc21
InChIInChI=1S/C11H11N/c1-8-6-9(7-12)11-5-3-2-4-10(8)11/h2-5,8-9H,6H2,1H3
InChIKeyBACWSILAEFBTQV-UHFFFAOYSA-N
XLogP2.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile (CID 21040228) is 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile is CC1CC(C#N)c2ccccc21.
What is the InChIKey of 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is BACWSILAEFBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-8-6-9(7-12)11-5-3-2-4-10(8)11/h2-5,8-9H,6H2,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile?
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 157.22 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 21040228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).