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

C15H17NO — CID 79130011

IUPAC1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(O)CCc3ccccc32)CCCC1
InChIInChI=1S/C15H17NO/c16-11-14(8-3-4-9-14)15(17)10-7-12-5-1-2-6-13(12)15/h1-2,5-6,17H,3-4,7-10H2
InChIKeyXSIXFHUGEJQTPS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.90
Rot. Bonds1

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

1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile (PubChem CID 79130011) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
PubChem CID79130011
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(O)CCc3ccccc32)CCCC1
InChIInChI=1S/C15H17NO/c16-11-14(8-3-4-9-14)15(17)10-7-12-5-1-2-6-13(12)15/h1-2,5-6,17H,3-4,7-10H2
InChIKeyXSIXFHUGEJQTPS-UHFFFAOYSA-N
XLogP2.90
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 116532491
4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
CID 79115229
1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile
CID 83069284
3-ethyl-1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79129710
1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
CID 80603084
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79130898
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
CID 115420917
1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79842173
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116532488
1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile
CID 79129399
4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile
CID 83069363

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile (CID 79130011) is 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile is N#CC1(C2(O)CCc3ccccc32)CCCC1.
What is the InChIKey of 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is XSIXFHUGEJQTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c16-11-14(8-3-4-9-14)15(17)10-7-12-5-1-2-6-13(12)15/h1-2,5-6,17H,3-4,7-10H2.
What are the key properties of 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79130011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).