1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one

C17H17N3O2 — CID 134791894

IUPAC1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
SMILESO=C1NC2(CCN(Cc3ccccn3)C2)Oc2ccccc21
InChIInChI=1S/C17H17N3O2/c21-16-14-6-1-2-7-15(14)22-17(19-16)8-10-20(12-17)11-13-5-3-4-9-18-13/h1-7,9H,8,10-12H2,(H,19,21)
InChIKeyGTFZJFJUENOZEO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.81
Rot. Bonds2

About 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one

1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one (PubChem CID 134791894) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
PubChem CID134791894
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
SMILESO=C1NC2(CCN(Cc3ccccn3)C2)Oc2ccccc21
InChIInChI=1S/C17H17N3O2/c21-16-14-6-1-2-7-15(14)22-17(19-16)8-10-20(12-17)11-13-5-3-4-9-18-13/h1-7,9H,8,10-12H2,(H,19,21)
InChIKeyGTFZJFJUENOZEO-UHFFFAOYSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16669352
1'-[[4-(dimethylamino)phenyl]methyl]spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134798812
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134793232
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95799880
1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 126470315
1'-[(4-methylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,3'-azetidine]-4-one
CID 134795302
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione
CID 95792941
(5S)-3-propan-2-yl-7-(pyridin-2-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017720
1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one
CID 134790074
1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one (CID 134791894) is 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one is O=C1NC2(CCN(Cc3ccccn3)C2)Oc2ccccc21.
What is the InChIKey of 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one?
The InChIKey is GTFZJFJUENOZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-14-6-1-2-7-15(14)22-17(19-16)8-10-20(12-17)11-13-5-3-4-9-18-13/h1-7,9H,8,10-12H2,(H,19,21).
What are the key properties of 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one?
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one has a molecular weight of 295.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 134791894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).