(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile

C10H9NO — CID 131140735

IUPAC(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)[C@H](O)CC2
InChIInChI=1S/C10H9NO/c11-6-7-1-2-8-3-4-10(12)9(8)5-7/h1-2,5,10,12H,3-4H2/t10-/m1/s1
InChIKeyBIBDDAUQFCSMPF-SNVBAGLBSA-N
MW159.19 g/mol
LogP1.54
Rot. Bonds

About (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile

(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 131140735) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID131140735
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)[C@H](O)CC2
InChIInChI=1S/C10H9NO/c11-6-7-1-2-8-3-4-10(12)9(8)5-7/h1-2,5,10,12H,3-4H2/t10-/m1/s1
InChIKeyBIBDDAUQFCSMPF-SNVBAGLBSA-N
XLogP1.54
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-9-carbonitrile
CID 86654076
3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 67081826
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 13488729
5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 118900077
1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 154531997
5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol
CID 171432789
5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile
CID 154099953
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid
CID 174627369

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 131140735) is (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1)[C@H](O)CC2.
What is the InChIKey of (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is BIBDDAUQFCSMPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9NO/c11-6-7-1-2-8-3-4-10(12)9(8)5-7/h1-2,5,10,12H,3-4H2/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 131140735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).