1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one

C9H10N2O2 — CID 135067369

IUPAC1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one
SMILESCN1CCOC(=O)c2cccnc21
InChIInChI=1S/C9H10N2O2/c1-11-5-6-13-9(12)7-3-2-4-10-8(7)11/h2-4H,5-6H2,1H3
InChIKeyALTUOCOYBQKTAI-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.69
Rot. Bonds

About 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one

1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one (PubChem CID 135067369) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one.

Molecular Properties

Compound Name1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one
PubChem CID135067369
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one
SMILESCN1CCOC(=O)c2cccnc21
InChIInChI=1S/C9H10N2O2/c1-11-5-6-13-9(12)7-3-2-4-10-8(7)11/h2-4H,5-6H2,1H3
InChIKeyALTUOCOYBQKTAI-UHFFFAOYSA-N
XLogP0.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one?
The IUPAC name of 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one (CID 135067369) is 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one.
What is the SMILES notation for 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one?
The canonical SMILES for 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one is CN1CCOC(=O)c2cccnc21.
What is the InChIKey of 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one?
The InChIKey is ALTUOCOYBQKTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-5-6-13-9(12)7-3-2-4-10-8(7)11/h2-4H,5-6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one?
1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one has a molecular weight of 178.19 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydropyrido[2,3-e][1,4]oxazepin-5-one is sourced from PubChem (CID 135067369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).