2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile

C14H17NO — CID 79412311

IUPAC2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)Cc2ccccc2C1
InChIInChI=1S/C14H17NO/c1-2-5-13(10-15)14(16)8-11-6-3-4-7-12(11)9-14/h3-4,6-7,13,16H,2,5,8-9H2,1H3
InChIKeyJLWIQICLRLIBCT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.46
Rot. Bonds3

About 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile

2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile (PubChem CID 79412311) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile.

Molecular Properties

Compound Name2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile
PubChem CID79412311
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)Cc2ccccc2C1
InChIInChI=1S/C14H17NO/c1-2-5-13(10-15)14(16)8-11-6-3-4-7-12(11)9-14/h3-4,6-7,13,16H,2,5,8-9H2,1H3
InChIKeyJLWIQICLRLIBCT-UHFFFAOYSA-N
XLogP2.46
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile?
The IUPAC name of 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile (CID 79412311) is 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile.
What is the SMILES notation for 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile?
The canonical SMILES for 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile is CCCC(C#N)C1(O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile?
The InChIKey is JLWIQICLRLIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-5-13(10-15)14(16)8-11-6-3-4-7-12(11)9-14/h3-4,6-7,13,16H,2,5,8-9H2,1H3.
What are the key properties of 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile?
2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile has a molecular weight of 215.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,3-dihydroinden-2-yl)pentanenitrile is sourced from PubChem (CID 79412311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).