2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile

C19H25NO — CID 79115116

IUPAC2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
SMILESCCCC1CCC(O)(C2(C#N)Cc3ccccc3C2)CC1
InChIInChI=1S/C19H25NO/c1-2-5-15-8-10-19(21,11-9-15)18(14-20)12-16-6-3-4-7-17(16)13-18/h3-4,6-7,15,21H,2,5,8-13H2,1H3
InChIKeyJEUWBMHSCBNBEB-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.02
Rot. Bonds3

About 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile

2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79115116) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79115116
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
SMILESCCCC1CCC(O)(C2(C#N)Cc3ccccc3C2)CC1
InChIInChI=1S/C19H25NO/c1-2-5-15-8-10-19(21,11-9-15)18(14-20)12-16-6-3-4-7-17(16)13-18/h3-4,6-7,15,21H,2,5,8-13H2,1H3
InChIKeyJEUWBMHSCBNBEB-UHFFFAOYSA-N
XLogP4.02
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
3-(4-ethyl-1-hydroxycyclohexyl)-2,4-dihydrochromene-3-carbonitrile
CID 79116167
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79123861
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
CID 79126868
2-(4-hydroxy-2-methyloxan-4-yl)-1,3-dihydroindene-2-carbonitrile
CID 79132504
2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile
CID 79123783

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile (CID 79115116) is 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile is CCCC1CCC(O)(C2(C#N)Cc3ccccc3C2)CC1.
What is the InChIKey of 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is JEUWBMHSCBNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-5-15-8-10-19(21,11-9-15)18(14-20)12-16-6-3-4-7-17(16)13-18/h3-4,6-7,15,21H,2,5,8-13H2,1H3.
What are the key properties of 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile?
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 283.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79115116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).