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

C12H13NO — CID 79129299

IUPAC2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile
SMILESCC(C#N)C1(O)Cc2ccccc2C1
InChIInChI=1S/C12H13NO/c1-9(8-13)12(14)6-10-4-2-3-5-11(10)7-12/h2-5,9,14H,6-7H2,1H3
InChIKeyRYPLNUZUSVMJMK-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.68
Rot. Bonds1

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

2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile (PubChem CID 79129299) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile
PubChem CID79129299
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile
SMILESCC(C#N)C1(O)Cc2ccccc2C1
InChIInChI=1S/C12H13NO/c1-9(8-13)12(14)6-10-4-2-3-5-11(10)7-12/h2-5,9,14H,6-7H2,1H3
InChIKeyRYPLNUZUSVMJMK-UHFFFAOYSA-N
XLogP1.68
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-2-indanecarbonitrile
CID 281490
2-Ethynyl-2,3-dihydro-1H-inden-2-ol
CID 15695903
2-(aminomethyl)-2,3-dihydro-1H-inden-2-ol
CID 25895951
9-Hydroxy-9H-fluorene-9-carbonitrile
CID 12439576
(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 12522299
2-Hydroxy-2-methyl-3-phenyl-propionitrile
CID 14225617
2-Trimethylsilyloxy-1,3-dihydroindene-2-carbonitrile
CID 58306284
Benzylmalonitrile
CID 129752304
(2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile
CID 23234205
Dimethylindanol
CID 3024376
2-(Trifluoromethyl)-2-indanol
CID 61644686
5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 66646390

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile?
The IUPAC name of 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile (CID 79129299) is 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile.
What is the SMILES notation for 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile?
The canonical SMILES for 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile is CC(C#N)C1(O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile?
The InChIKey is RYPLNUZUSVMJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(8-13)12(14)6-10-4-2-3-5-11(10)7-12/h2-5,9,14H,6-7H2,1H3.
What are the key properties of 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile?
2-(2-hydroxy-1,3-dihydroinden-2-yl)propanenitrile has a molecular weight of 187.24 g/mol, XLogP of 1.68, 1 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)propanenitrile is sourced from PubChem (CID 79129299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).