4-hydroxy-1-octan-4-ylpyrrolidin-2-one

C12H23NO2 — CID 106021146

IUPAC4-hydroxy-1-octan-4-ylpyrrolidin-2-one
SMILESCCCCC(CCC)N1CC(O)CC1=O
InChIInChI=1S/C12H23NO2/c1-3-5-7-10(6-4-2)13-9-11(14)8-12(13)15/h10-11,14H,3-9H2,1-2H3
InChIKeyUWYFOPHLFLHDJH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.94
Rot. Bonds6

About 4-hydroxy-1-octan-4-ylpyrrolidin-2-one

4-hydroxy-1-octan-4-ylpyrrolidin-2-one (PubChem CID 106021146) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-hydroxy-1-octan-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-octan-4-ylpyrrolidin-2-one
PubChem CID106021146
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-hydroxy-1-octan-4-ylpyrrolidin-2-one
SMILESCCCCC(CCC)N1CC(O)CC1=O
InChIInChI=1S/C12H23NO2/c1-3-5-7-10(6-4-2)13-9-11(14)8-12(13)15/h10-11,14H,3-9H2,1-2H3
InChIKeyUWYFOPHLFLHDJH-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183
2-(4-hydroxy-2-oxopyrrolidin-1-yl)octanoic acid
CID 168701551
4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
CID 168701588
1-octan-4-ylpiperazine-2,5-dione
CID 106027657
2-octan-4-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106027624
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106021182
5-butyl-3-octan-4-ylimidazolidin-4-one
CID 106021472
1-hexan-2-yl-4-sulfanylpyrrolidin-2-one
CID 168707704
2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
CID 106021540
6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 106021485

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-octan-4-ylpyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-octan-4-ylpyrrolidin-2-one (CID 106021146) is 4-hydroxy-1-octan-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-octan-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-octan-4-ylpyrrolidin-2-one is CCCCC(CCC)N1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-octan-4-ylpyrrolidin-2-one?
The InChIKey is UWYFOPHLFLHDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-7-10(6-4-2)13-9-11(14)8-12(13)15/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 4-hydroxy-1-octan-4-ylpyrrolidin-2-one?
4-hydroxy-1-octan-4-ylpyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-octan-4-ylpyrrolidin-2-one is sourced from PubChem (CID 106021146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).