1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile

C18H23NO — CID 80603084

IUPAC1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(C2(O)Cc3ccccc3C2)CCCCCCC1
InChIInChI=1S/C18H23NO/c19-14-17(10-6-2-1-3-7-11-17)18(20)12-15-8-4-5-9-16(15)13-18/h4-5,8-9,20H,1-3,6-7,10-13H2
InChIKeyFGZDWXGUJIZJGA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.77
Rot. Bonds1

About 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile

1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile (PubChem CID 80603084) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
PubChem CID80603084
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(C2(O)Cc3ccccc3C2)CCCCCCC1
InChIInChI=1S/C18H23NO/c19-14-17(10-6-2-1-3-7-11-17)18(20)12-15-8-4-5-9-16(15)13-18/h4-5,8-9,20H,1-3,6-7,10-13H2
InChIKeyFGZDWXGUJIZJGA-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448
1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79130011
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142
2-(4-hydroxyoxan-4-yl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79130072
2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
CID 79126623
2-(1-hydroxy-2,3-dimethylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79132874
1-(4-hydroxypiperidin-4-yl)cyclooctane-1-carbonitrile
CID 80603343
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile
CID 79123783
2-(4-hydroxy-2-methyloxan-4-yl)-1,3-dihydroindene-2-carbonitrile
CID 79132504
2-(1-hydroxy-2-methylsulfonylcyclopentyl)-1,3-dihydroindene-2-carbonitrile
CID 79123828
1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79130898

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile (CID 80603084) is 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile is N#CC1(C2(O)Cc3ccccc3C2)CCCCCCC1.
What is the InChIKey of 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile?
The InChIKey is FGZDWXGUJIZJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c19-14-17(10-6-2-1-3-7-11-17)18(20)12-15-8-4-5-9-16(15)13-18/h4-5,8-9,20H,1-3,6-7,10-13H2.
What are the key properties of 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile?
1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile is sourced from PubChem (CID 80603084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).