7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one

C15H12N2O2 — CID 86730947

IUPAC7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESO=C1COc2cnc(/C=C/c3ccccc3)cc2N1
InChIInChI=1S/C15H12N2O2/c18-15-10-19-14-9-16-12(8-13(14)17-15)7-6-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)/b7-6+
InChIKeyZJYDPBTZUMDHGQ-VOTSOKGWSA-N
MW252.27 g/mol
LogP2.58
Rot. Bonds2

About 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one

7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one (PubChem CID 86730947) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
PubChem CID86730947
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESO=C1COc2cnc(/C=C/c3ccccc3)cc2N1
InChIInChI=1S/C15H12N2O2/c18-15-10-19-14-9-16-12(8-13(14)17-15)7-6-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)/b7-6+
InChIKeyZJYDPBTZUMDHGQ-VOTSOKGWSA-N
XLogP2.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The IUPAC name of 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one (CID 86730947) is 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The canonical SMILES for 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one is O=C1COc2cnc(/C=C/c3ccccc3)cc2N1.
What is the InChIKey of 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The InChIKey is ZJYDPBTZUMDHGQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-10-19-14-9-16-12(8-13(14)17-15)7-6-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)/b7-6+.
What are the key properties of 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one?
7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one is sourced from PubChem (CID 86730947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).