2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile

C15H19N — CID 65407468

IUPAC2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile
SMILESCCC(C)CC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C15H19N/c1-3-12(2)8-15(11-16)9-13-6-4-5-7-14(13)10-15/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIEYAJGJRMVUZEW-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.73
Rot. Bonds3

About 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile

2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 65407468) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID65407468
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile
SMILESCCC(C)CC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C15H19N/c1-3-12(2)8-15(11-16)9-13-6-4-5-7-14(13)10-15/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIEYAJGJRMVUZEW-UHFFFAOYSA-N
XLogP3.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile (CID 65407468) is 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile is CCC(C)CC1(C#N)Cc2ccccc2C1.
What is the InChIKey of 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is IEYAJGJRMVUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-12(2)8-15(11-16)9-13-6-4-5-7-14(13)10-15/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile?
2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 213.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 65407468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).