7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C11H12N2O2 — CID 144500148

IUPAC7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC=Cc1c(C)nc2c(c1C)OCC(=O)N2
InChIInChI=1S/C11H12N2O2/c1-4-8-6(2)10-11(12-7(8)3)13-9(14)5-15-10/h4H,1,5H2,2-3H3,(H,12,13,14)
InChIKeyZZHWVCOASKWPEX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds1

About 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 144500148) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID144500148
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC=Cc1c(C)nc2c(c1C)OCC(=O)N2
InChIInChI=1S/C11H12N2O2/c1-4-8-6(2)10-11(12-7(8)3)13-9(14)5-15-10/h4H,1,5H2,2-3H3,(H,12,13,14)
InChIKeyZZHWVCOASKWPEX-UHFFFAOYSA-N
XLogP1.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 144500148) is 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is C=Cc1c(C)nc2c(c1C)OCC(=O)N2.
What is the InChIKey of 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZZHWVCOASKWPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-4-8-6(2)10-11(12-7(8)3)13-9(14)5-15-10/h4H,1,5H2,2-3H3,(H,12,13,14).
What are the key properties of 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 144500148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).