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

C10H9NO — CID 23239621

IUPAC(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#C[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,8,10,12H,5H2/t8-,10+/m0/s1
InChIKeyADNCPGPSBDTPEX-WCBMZHEXSA-N
MW159.19 g/mol
LogP1.42
Rot. Bonds

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

(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile (PubChem CID 23239621) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile.

Molecular Properties

Compound Name(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
PubChem CID23239621
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#C[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,8,10,12H,5H2/t8-,10+/m0/s1
InChIKeyADNCPGPSBDTPEX-WCBMZHEXSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
CID 177486756
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
CID 130142398
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
(2R,2aR,7aR)-7a-hydroxy-1,2,2a,7-tetrahydrocyclobuta[a]indene-2-carbonitrile
CID 10241516
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
CID 66419895
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
The IUPAC name of (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile (CID 23239621) is (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile.
What is the SMILES notation for (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
The canonical SMILES for (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile is N#C[C@@H]1Cc2ccccc2[C@@H]1O.
What is the InChIKey of (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
The InChIKey is ADNCPGPSBDTPEX-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,8,10,12H,5H2/t8-,10+/m0/s1.
What are the key properties of (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile is sourced from PubChem (CID 23239621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).