1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one

C18H19N3O2 — CID 134792788

IUPAC1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one
SMILESO=C1NC2(CCN(Cc3ccccn3)C2)OCc2ccccc21
InChIInChI=1S/C18H19N3O2/c22-17-16-7-2-1-5-14(16)12-23-18(20-17)8-10-21(13-18)11-15-6-3-4-9-19-15/h1-7,9H,8,10-13H2,(H,20,22)
InChIKeyRMOPFLZQQPTWTH-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.94
Rot. Bonds2

About 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one

1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one (PubChem CID 134792788) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one.

Molecular Properties

Compound Name1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one
PubChem CID134792788
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one
SMILESO=C1NC2(CCN(Cc3ccccn3)C2)OCc2ccccc21
InChIInChI=1S/C18H19N3O2/c22-17-16-7-2-1-5-14(16)12-23-18(20-17)8-10-21(13-18)11-15-6-3-4-9-19-15/h1-7,9H,8,10-13H2,(H,20,22)
InChIKeyRMOPFLZQQPTWTH-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-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

S9947
CID 656730
1-dodecoxy-1-phenyl-2H-pyrrolo[3,4-c]pyridin-3-one
CID 57394545
2-Benzyl-3-phenyl-3-(2-pyridin-2-ylethoxy)isoindol-1-one
CID 16090458
3-Phenyl-2-propyl-3-(2-pyridin-2-ylethoxy)isoindol-1-one
CID 16090460
3-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 168280475
N-[2-(2-benzyl-3-oxo-1-phenylisoindol-1-yl)oxyethyl]pyridine-4-carboxamide
CID 44417643
8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235924
1'-[(1-Methylpyrrol-2-yl)methyl]spiro[2,4-dihydro-1,4-benzoxazepine-3,4'-piperidine]-5-one
CID 134793861
1'-(Pyridin-3-ylmethyl)spiro[2,4-dihydro-1,4-benzoxazepine-3,3'-pyrrolidine]-5-one
CID 134795511
6-(Benzyloxy)-1-cyclohexyl-4-(2-pyridinylcarbonyl)-1,4-diazepan-2-one
CID 45165290
(4-(2-((Benzyloxy)methyl)pyrrolidin-1-yl)piperidin-1-yl)(pyridin-2-yl)methanone
CID 91624698
Sdccgsbi-0662749.P001
CID 134789062

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one?
The IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one (CID 134792788) is 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one.
What is the SMILES notation for 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one?
The canonical SMILES for 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one is O=C1NC2(CCN(Cc3ccccn3)C2)OCc2ccccc21.
What is the InChIKey of 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one?
The InChIKey is RMOPFLZQQPTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-16-7-2-1-5-14(16)12-23-18(20-17)8-10-21(13-18)11-15-6-3-4-9-19-15/h1-7,9H,8,10-13H2,(H,20,22).
What are the key properties of 1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one?
1'-(pyridin-2-ylmethyl)spiro[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one has a molecular weight of 309.37 g/mol, XLogP of 1.94, 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[1,4-dihydro-2,4-benzoxazepine-3,3'-pyrrolidine]-5-one is sourced from PubChem (CID 134792788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).