4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C12H20N2O3 — CID 113375920

IUPAC4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCCCO2)CC1=O
InChIInChI=1S/C12H20N2O3/c1-9(2)13-8-10(7-11(13)15)12(16)14-5-3-4-6-17-14/h9-10H,3-8H2,1-2H3
InChIKeyHDFOYZZAEPMBIR-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.80
Rot. Bonds2

About 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one

4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 113375920) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID113375920
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCCCO2)CC1=O
InChIInChI=1S/C12H20N2O3/c1-9(2)13-8-10(7-11(13)15)12(16)14-5-3-4-6-17-14/h9-10H,3-8H2,1-2H3
InChIKeyHDFOYZZAEPMBIR-UHFFFAOYSA-N
XLogP0.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
(4R)-4-[(2R)-2-methylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400779
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002
4-(4-hydroxy-4-methylazepane-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 107406810
2-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010093
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 103900931
4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 108754227
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
3,3-dimethyl-4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
CID 63608099
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177

Frequently Asked Questions

What is the IUPAC name of 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 113375920) is 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCCCO2)CC1=O.
What is the InChIKey of 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is HDFOYZZAEPMBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)13-8-10(7-11(13)15)12(16)14-5-3-4-6-17-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 240.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxazinane-2-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 113375920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).