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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Related Compounds

1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 96596668
ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 142588105
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 117277012
4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66647245
2-methylbenzonitrile
CID 162098401
4-amino-2-(2-methylphenyl)benzonitrile
CID 70133478
tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
CID 91804905
2-methyl-3,4-dihydroisothiochromene-1-carbonitrile
CID 10932220
4-methyl-2-phenylbenzene-1,3-dicarbonitrile
CID 90016382
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
azane;2-methylbenzonitrile
CID 158673628
5-methyl-4-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]benzene-1,3-dicarbonitrile
CID 170397945

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).