3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one

C13H22N2O2 — CID 127941636

IUPAC3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(N2CC(O)C3(CC3)C2)C1=O
InChIInChI=1S/C13H22N2O2/c1-9(2)15-6-3-10(12(15)17)14-7-11(16)13(8-14)4-5-13/h9-11,16H,3-8H2,1-2H3
InChIKeyRMIJOAZAZWYLIN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.45
Rot. Bonds2

About 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one

3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 127941636) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID127941636
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(N2CC(O)C3(CC3)C2)C1=O
InChIInChI=1S/C13H22N2O2/c1-9(2)15-6-3-10(12(15)17)14-7-11(16)13(8-14)4-5-13/h9-11,16H,3-8H2,1-2H3
InChIKeyRMIJOAZAZWYLIN-UHFFFAOYSA-N
XLogP0.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one
CID 167894823
(3S)-3-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 97220174
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120772686
3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120775440
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 119919554
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
CID 165482460
1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342797
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319544
tert-butyl 1-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperidine-4-carboxylate
CID 97220887

Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one (CID 127941636) is 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(N2CC(O)C3(CC3)C2)C1=O.
What is the InChIKey of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RMIJOAZAZWYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)15-6-3-10(12(15)17)14-7-11(16)13(8-14)4-5-13/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one?
3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 127941636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).