5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one

C13H11NO2 — CID 11790547

IUPAC5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one
SMILESCc1cnc(/C=C/c2ccccc2)oc1=O
InChIInChI=1S/C13H11NO2/c1-10-9-14-12(16-13(10)15)8-7-11-5-3-2-4-6-11/h2-9H,1H3/b8-7+
InChIKeyAUVZRPDPOLGYNC-BQYQJAHWSA-N
MW213.24 g/mol
LogP2.51
Rot. Bonds2

About 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one

5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one (PubChem CID 11790547) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one
PubChem CID11790547
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one
SMILESCc1cnc(/C=C/c2ccccc2)oc1=O
InChIInChI=1S/C13H11NO2/c1-10-9-14-12(16-13(10)15)8-7-11-5-3-2-4-6-11/h2-9H,1H3/b8-7+
InChIKeyAUVZRPDPOLGYNC-BQYQJAHWSA-N
XLogP2.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]methyl acetate
CID 46201506
5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
CID 12639615
6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one
CID 92993671
5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 134096982
6-iodo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 53329594
6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
CID 2878832
2-methyl-5-[(E)-2-phenylethenyl]pyridine
CID 11095539
5-(2-methylpropyl)-2-(2-phenylethenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 4046501
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
3-methyl-5-[(E)-2-phenylethenyl]pyridin-2-amine
CID 50968857
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one?
The IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one (CID 11790547) is 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one.
What is the SMILES notation for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one?
The canonical SMILES for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one is Cc1cnc(/C=C/c2ccccc2)oc1=O.
What is the InChIKey of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one?
The InChIKey is AUVZRPDPOLGYNC-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10-9-14-12(16-13(10)15)8-7-11-5-3-2-4-6-11/h2-9H,1H3/b8-7+.
What are the key properties of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one?
5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one has a molecular weight of 213.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one is sourced from PubChem (CID 11790547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).