4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile

C17H15N — CID 96597680

IUPAC4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1ccccc1-c1c(C#N)ccc2c1CCC2
InChIInChI=1S/C17H15N/c1-12-5-2-3-7-15(12)17-14(11-18)10-9-13-6-4-8-16(13)17/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyXTFLUNXMLXUKTN-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.02
Rot. Bonds1

About 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile

4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 96597680) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID96597680
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1ccccc1-c1c(C#N)ccc2c1CCC2
InChIInChI=1S/C17H15N/c1-12-5-2-3-7-15(12)17-14(11-18)10-9-13-6-4-8-16(13)17/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyXTFLUNXMLXUKTN-UHFFFAOYSA-N
XLogP4.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile (CID 96597680) is 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile is Cc1ccccc1-c1c(C#N)ccc2c1CCC2.
What is the InChIKey of 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is XTFLUNXMLXUKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-5-2-3-7-15(12)17-14(11-18)10-9-13-6-4-8-16(13)17/h2-3,5,7,9-10H,4,6,8H2,1H3.
What are the key properties of 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile?
4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 96597680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).