1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one

C14H17NO2 — CID 11842166

IUPAC1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
SMILESO=C1COC(c2ccccc2)C2CCCCN12
InChIInChI=1S/C14H17NO2/c16-13-10-17-14(11-6-2-1-3-7-11)12-8-4-5-9-15(12)13/h1-3,6-7,12,14H,4-5,8-10H2
InChIKeyDOMCFYUEFOEBGH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds1

About 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one

1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one (PubChem CID 11842166) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
PubChem CID11842166
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
SMILESO=C1COC(c2ccccc2)C2CCCCN12
InChIInChI=1S/C14H17NO2/c16-13-10-17-14(11-6-2-1-3-7-11)12-8-4-5-9-15(12)13/h1-3,6-7,12,14H,4-5,8-10H2
InChIKeyDOMCFYUEFOEBGH-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
The IUPAC name of 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one (CID 11842166) is 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one is O=C1COC(c2ccccc2)C2CCCCN12.
What is the InChIKey of 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
The InChIKey is DOMCFYUEFOEBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-10-17-14(11-6-2-1-3-7-11)12-8-4-5-9-15(12)13/h1-3,6-7,12,14H,4-5,8-10H2.
What are the key properties of 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one?
1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 11842166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).