methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate

C12H13N3O4 — CID 134797118

IUPACmethyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)OC(=O)Nc1cnccc12
InChIInChI=1S/C12H13N3O4/c1-18-11(17)15-5-3-12(7-15)8-2-4-13-6-9(8)14-10(16)19-12/h2,4,6H,3,5,7H2,1H3,(H,14,16)
InChIKeyHUWNGTNXHOXRCS-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.31
Rot. Bonds

About methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate

methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate (PubChem CID 134797118) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate
PubChem CID134797118
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Namemethyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)OC(=O)Nc1cnccc12
InChIInChI=1S/C12H13N3O4/c1-18-11(17)15-5-3-12(7-15)8-2-4-13-6-9(8)14-10(16)19-12/h2,4,6H,3,5,7H2,1H3,(H,14,16)
InChIKeyHUWNGTNXHOXRCS-UHFFFAOYSA-N
XLogP1.31
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
Sdccgsbi-0662537.P001
CID 134792315
CID 134793872
CID 134793872
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
(4S,5R)-4-methyl-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 57704826

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate (CID 134797118) is methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate is COC(=O)N1CCC2(C1)OC(=O)Nc1cnccc12.
What is the InChIKey of methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is HUWNGTNXHOXRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-18-11(17)15-5-3-12(7-15)8-2-4-13-6-9(8)14-10(16)19-12/h2,4,6H,3,5,7H2,1H3,(H,14,16).
What are the key properties of methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate?
methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 134797118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).