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

C17H15N3O3 — CID 134791952

IUPAC1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1Nc2cnccc2C2(CCN(C(=O)c3ccccc3)C2)O1
InChIInChI=1S/C17H15N3O3/c21-15(12-4-2-1-3-5-12)20-9-7-17(11-20)13-6-8-18-10-14(13)19-16(22)23-17/h1-6,8,10H,7,9,11H2,(H,19,22)
InChIKeyHOUFASMLJPROKD-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.39
Rot. Bonds1

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

1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (PubChem CID 134791952) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
PubChem CID134791952
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1Nc2cnccc2C2(CCN(C(=O)c3ccccc3)C2)O1
InChIInChI=1S/C17H15N3O3/c21-15(12-4-2-1-3-5-12)20-9-7-17(11-20)13-6-8-18-10-14(13)19-16(22)23-17/h1-6,8,10H,7,9,11H2,(H,19,22)
InChIKeyHOUFASMLJPROKD-UHFFFAOYSA-N
XLogP2.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2S)-1-(2-oxospiro[1H-pyrido[3,2-d][1,3]oxazine-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
CID 166627575
4-fluoro-N-[(2S)-1-(2-oxospiro[1H-pyrido[4,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
CID 166632131
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
Sdccgsbi-0662537.P001
CID 134792315
1'-(pyridine-3-carbonyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134793069
1'-(pyridine-3-carbonyl)spiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one
CID 134795096
methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134797118
1'-[1-(4-methylphenyl)cyclopropanecarbonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 66661892
1'-[1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropanecarbonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 66991720
N-[[2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]pyridine-2-carboxamide
CID 68488488
N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide
CID 87470148

Frequently Asked Questions

What is the IUPAC name of 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (CID 134791952) is 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is O=C1Nc2cnccc2C2(CCN(C(=O)c3ccccc3)C2)O1.
What is the InChIKey of 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The InChIKey is HOUFASMLJPROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15(12-4-2-1-3-5-12)20-9-7-17(11-20)13-6-8-18-10-14(13)19-16(22)23-17/h1-6,8,10H,7,9,11H2,(H,19,22).
What are the key properties of 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one has a molecular weight of 309.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134791952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).