8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C19H20N2O3 — CID 134786874

IUPAC8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESC=CCN1CC(COc2ccccc2)Oc2nc(C)ccc2C1=O
InChIInChI=1S/C19H20N2O3/c1-3-11-21-12-16(13-23-15-7-5-4-6-8-15)24-18-17(19(21)22)10-9-14(2)20-18/h3-10,16H,1,11-13H2,2H3
InChIKeyYSCROFVIGXYQRV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.86
Rot. Bonds5

About 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134786874) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134786874
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESC=CCN1CC(COc2ccccc2)Oc2nc(C)ccc2C1=O
InChIInChI=1S/C19H20N2O3/c1-3-11-21-12-16(13-23-15-7-5-4-6-8-15)24-18-17(19(21)22)10-9-14(2)20-18/h3-10,16H,1,11-13H2,2H3
InChIKeyYSCROFVIGXYQRV-UHFFFAOYSA-N
XLogP2.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134786874) is 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is C=CCN1CC(COc2ccccc2)Oc2nc(C)ccc2C1=O.
What is the InChIKey of 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is YSCROFVIGXYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-11-21-12-16(13-23-15-7-5-4-6-8-15)24-18-17(19(21)22)10-9-14(2)20-18/h3-10,16H,1,11-13H2,2H3.
What are the key properties of 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 324.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(phenoxymethyl)-4-prop-2-enyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134786874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).