2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile

C11H9NO — CID 19042305

IUPAC2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
SMILESCC1Cc2c(C#N)cccc2C1=O
InChIInChI=1S/C11H9NO/c1-7-5-10-8(6-12)3-2-4-9(10)11(7)13/h2-4,7H,5H2,1H3
InChIKeyCBMDOHQMIOJGKT-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.93
Rot. Bonds

About 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile

2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile (PubChem CID 19042305) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
PubChem CID19042305
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
SMILESCC1Cc2c(C#N)cccc2C1=O
InChIInChI=1S/C11H9NO/c1-7-5-10-8(6-12)3-2-4-9(10)11(7)13/h2-4,7H,5H2,1H3
InChIKeyCBMDOHQMIOJGKT-UHFFFAOYSA-N
XLogP1.93
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile?
The IUPAC name of 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile (CID 19042305) is 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile.
What is the SMILES notation for 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile?
The canonical SMILES for 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile is CC1Cc2c(C#N)cccc2C1=O.
What is the InChIKey of 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile?
The InChIKey is CBMDOHQMIOJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-7-5-10-8(6-12)3-2-4-9(10)11(7)13/h2-4,7H,5H2,1H3.
What are the key properties of 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile?
2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile is sourced from PubChem (CID 19042305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).