2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile

C17H20N2O2 — CID 14896398

IUPAC2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2C(N2CCCCC2=O)C1O
InChIInChI=1S/C17H20N2O2/c1-17(2)13-9-11(10-18)6-7-12(13)15(16(17)21)19-8-4-3-5-14(19)20/h6-7,9,15-16,21H,3-5,8H2,1-2H3
InChIKeyFUJUZVLWVPTQQA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.26
Rot. Bonds1

About 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile

2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile (PubChem CID 14896398) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile
PubChem CID14896398
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2C(N2CCCCC2=O)C1O
InChIInChI=1S/C17H20N2O2/c1-17(2)13-9-11(10-18)6-7-12(13)15(16(17)21)19-8-4-3-5-14(19)20/h6-7,9,15-16,21H,3-5,8H2,1-2H3
InChIKeyFUJUZVLWVPTQQA-UHFFFAOYSA-N
XLogP2.26
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)piperidin-2-one
CID 14896385
1-[(1S,2R)-2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl]pyrrolidin-2-one
CID 70382946
(4R,5R)-4-hydroxy-5-(2-oxopyrrolidin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile
CID 15130939
1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one
CID 19734618
[(3R,4R)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] dihydrogen phosphate
CID 166057793
bis[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy]phosphoryl-[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy]phosphinic acid;[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy-[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy-hydroxyphosphoryl]phosphinic acid
CID 167587061
[(3S,4S)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy-methylphosphinic acid
CID 167678461
[(3S,4S)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] [(3S)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] [(4S)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl] phosphate
CID 165387361
1-[(1R,2R)-2-hydroxy-7-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]pyrrolidin-2-one
CID 67909489
[3-[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy]-2,3-dimethylbutan-2-yl] dihydrogen phosphite
CID 156824509
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopiperazin-1-yl)-3,4-dihydrochromene-6-carbonitrile;hydrochloride
CID 139667245
2-[[(3R,4R)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy]ethyl dihydrogen phosphate
CID 166057795

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile?
The IUPAC name of 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile (CID 14896398) is 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile.
What is the SMILES notation for 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile?
The canonical SMILES for 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile is CC1(C)c2cc(C#N)ccc2C(N2CCCCC2=O)C1O.
What is the InChIKey of 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile?
The InChIKey is FUJUZVLWVPTQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2)13-9-11(10-18)6-7-12(13)15(16(17)21)19-8-4-3-5-14(19)20/h6-7,9,15-16,21H,3-5,8H2,1-2H3.
What are the key properties of 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile?
2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile is sourced from PubChem (CID 14896398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).