5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile

C10H9NO — CID 67192851

IUPAC5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile
SMILESN#CC1=C2CCC=C2CC=C1O
InChIInChI=1S/C10H9NO/c11-6-9-8-3-1-2-7(8)4-5-10(9)12/h2,5,12H,1,3-4H2
InChIKeyMDWWUMICQPGAMG-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.37
Rot. Bonds

About 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile

5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile (PubChem CID 67192851) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile
PubChem CID67192851
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile
SMILESN#CC1=C2CCC=C2CC=C1O
InChIInChI=1S/C10H9NO/c11-6-9-8-3-1-2-7(8)4-5-10(9)12/h2,5,12H,1,3-4H2
InChIKeyMDWWUMICQPGAMG-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile?
The IUPAC name of 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile (CID 67192851) is 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile.
What is the SMILES notation for 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile?
The canonical SMILES for 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile is N#CC1=C2CCC=C2CC=C1O.
What is the InChIKey of 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile?
The InChIKey is MDWWUMICQPGAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-6-9-8-3-1-2-7(8)4-5-10(9)12/h2,5,12H,1,3-4H2.
What are the key properties of 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile?
5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,7-dihydro-2H-indene-4-carbonitrile is sourced from PubChem (CID 67192851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).