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

C15H19NO — CID 79133045

IUPAC2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
SMILESCCCCC(O)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C15H19NO/c1-2-3-8-14(17)15(11-16)9-12-6-4-5-7-13(12)10-15/h4-7,14,17H,2-3,8-10H2,1H3
InChIKeyJGMBICBJUCGCHP-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.85
Rot. Bonds4

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

2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79133045) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79133045
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
SMILESCCCCC(O)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C15H19NO/c1-2-3-8-14(17)15(11-16)9-12-6-4-5-7-13(12)10-15/h4-7,14,17H,2-3,8-10H2,1H3
InChIKeyJGMBICBJUCGCHP-UHFFFAOYSA-N
XLogP2.85
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile
CID 79125856
2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 79136293
1-(1-hydroxypentyl)-3-methylcyclohexane-1-carbonitrile
CID 79133044
1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile
CID 79132042
1-(1-hydroxypentyl)-3-methylcyclopentane-1-carbonitrile
CID 79131922
3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile
CID 79131475
2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile
CID 79412311
1-(1-hydroxyheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132594
3-(1-hydroxy-3-methylbutyl)-2,4-dihydrochromene-3-carbonitrile
CID 79133030
2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 103348696
1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 102080429
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile (CID 79133045) is 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile is CCCCC(O)C1(C#N)Cc2ccccc2C1.
What is the InChIKey of 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is JGMBICBJUCGCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-8-14(17)15(11-16)9-12-6-4-5-7-13(12)10-15/h4-7,14,17H,2-3,8-10H2,1H3.
What are the key properties of 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile?
2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79133045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).