2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile

C18H23NO — CID 79132874

IUPAC2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
SMILESCC1CCCC(O)(C2(C#N)Cc3ccccc3C2)C1C
InChIInChI=1S/C18H23NO/c1-13-6-5-9-18(20,14(13)2)17(12-19)10-15-7-3-4-8-16(15)11-17/h3-4,7-8,13-14,20H,5-6,9-11H2,1-2H3
InChIKeyDVZYFLQPJFVABR-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.48
Rot. Bonds1

About 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile

2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79132874) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79132874
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
SMILESCC1CCCC(O)(C2(C#N)Cc3ccccc3C2)C1C
InChIInChI=1S/C18H23NO/c1-13-6-5-9-18(20,14(13)2)17(12-19)10-15-7-3-4-8-16(15)11-17/h3-4,7-8,13-14,20H,5-6,9-11H2,1-2H3
InChIKeyDVZYFLQPJFVABR-UHFFFAOYSA-N
XLogP3.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile
CID 79123828
1-(1-hydroxy-2,3-dimethylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79131967
1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
CID 80603084
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
2-(4-hydroxy-2-methyloxan-4-yl)-1,3-dihydroindene-2-carbonitrile
CID 79132504
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142
1-(2-fluoroanilino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755143
1-(2-bromoanilino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64754732
2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile
CID 79123783
2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79130072
3-(4-ethyl-1-hydroxycyclohexyl)-2,4-dihydrochromene-3-carbonitrile
CID 79116167
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
CID 115420917

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile (CID 79132874) is 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile is CC1CCCC(O)(C2(C#N)Cc3ccccc3C2)C1C.
What is the InChIKey of 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is DVZYFLQPJFVABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-6-5-9-18(20,14(13)2)17(12-19)10-15-7-3-4-8-16(15)11-17/h3-4,7-8,13-14,20H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79132874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).