1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile

C10H9NO — CID 11094911

IUPAC1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#CC1Cc2ccccc2C1O
InChIInChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,8,10,12H,5H2
InChIKeyADNCPGPSBDTPEX-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.42
Rot. Bonds

About 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile

1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile (PubChem CID 11094911) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
PubChem CID11094911
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#CC1Cc2ccccc2C1O
InChIInChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,8,10,12H,5H2
InChIKeyADNCPGPSBDTPEX-UHFFFAOYSA-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

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Related Compounds

Mandelonitrile
CID 10758
Fluoren-9-ol
CID 74318
Mandelonitrile, (+)-
CID 9548674
1-Indanol
CID 22819
(S)-Mandelonitrile
CID 439767
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
2-[Hydroxy(phenyl)methyl]prop-2-enenitrile
CID 10241077
1,2-Indanediol
CID 521197
(3S)-3-hydroxy-3-phenylpropanenitrile
CID 11084031
trans-1,2-Indandiol
CID 247603
cis-1,2-Indandiol
CID 20758

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
The IUPAC name of 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile (CID 11094911) is 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile.
What is the SMILES notation for 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
The canonical SMILES for 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile is N#CC1Cc2ccccc2C1O.
What is the InChIKey of 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
The InChIKey is ADNCPGPSBDTPEX-UHFFFAOYSA-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.
What are the key properties of 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile?
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 1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile is sourced from PubChem (CID 11094911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).