1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

C12H13N3O3 — CID 134792315

IUPAC1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESCC(=O)N1CCC2(C1)OC(=O)Nc1cnccc12
InChIInChI=1S/C12H13N3O3/c1-8(16)15-5-3-12(7-15)9-2-4-13-6-10(9)14-11(17)18-12/h2,4,6H,3,5,7H2,1H3,(H,14,17)
InChIKeyFPEYBFXFTUGSPL-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.09
Rot. Bonds

About 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (PubChem CID 134792315) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
PubChem CID134792315
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESCC(=O)N1CCC2(C1)OC(=O)Nc1cnccc12
InChIInChI=1S/C12H13N3O3/c1-8(16)15-5-3-12(7-15)9-2-4-13-6-10(9)14-11(17)18-12/h2,4,6H,3,5,7H2,1H3,(H,14,17)
InChIKeyFPEYBFXFTUGSPL-UHFFFAOYSA-N
XLogP1.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(2-fluorobenzoyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134795342
benzyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 66662228
1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134791952
1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134793069
CID 134793872
CID 134793872
methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134797118
spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 68830991
(2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-yl) 2,2,2-trifluoroacetate
CID 68830993
[(3S,5R)-3-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl] carbamate
CID 90281116
1H-Pyrido[3,4-d][1,3]oxazin-2(4H)-one
CID 15925991
ethane;4-methyl-4-prop-1-ynyl-1H-pyrido[3,4-d][1,3]oxazin-2-one
CID 53865329
4-methyl-4-prop-1-ynyl-1H-pyrido[3,4-d][1,3]oxazin-2-one
CID 53865330

Frequently Asked Questions

What is the IUPAC name of 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (CID 134792315) is 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is CC(=O)N1CCC2(C1)OC(=O)Nc1cnccc12.
What is the InChIKey of 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The InChIKey is FPEYBFXFTUGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8(16)15-5-3-12(7-15)9-2-4-13-6-10(9)14-11(17)18-12/h2,4,6H,3,5,7H2,1H3,(H,14,17).
What are the key properties of 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one has a molecular weight of 247.25 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134792315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).