4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one

C13H10N2O5 — CID 137193275

IUPAC4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one
SMILESCc1c(O)nc(C=Cc2ccc([N+](=O)[O-])cc2)oc1=O
InChIInChI=1S/C13H10N2O5/c1-8-12(16)14-11(20-13(8)17)7-4-9-2-5-10(6-3-9)15(18)19/h2-7,16H,1H3
InChIKeyFVLMRVFWXAVCBG-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.13
Rot. Bonds3

About 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one

4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one (PubChem CID 137193275) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one
PubChem CID137193275
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one
SMILESCc1c(O)nc(C=Cc2ccc([N+](=O)[O-])cc2)oc1=O
InChIInChI=1S/C13H10N2O5/c1-8-12(16)14-11(20-13(8)17)7-4-9-2-5-10(6-3-9)15(18)19/h2-7,16H,1H3
InChIKeyFVLMRVFWXAVCBG-UHFFFAOYSA-N
XLogP2.13
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-nitrophenyl)ethenyl]-6-[[2-[2-(4-nitrophenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one
CID 3106708
2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-benzoxazole
CID 5377707
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740583
2,6-dimethyl-4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]phenol
CID 135689520
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
methyl 4-[(E)-2-(5-nitro-1,3-benzoxazol-2-yl)ethenyl]benzoate
CID 8832258
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
4-hydroxy-6-methyl-3-[(2E,4E,6E)-7-(4-nitrophenyl)hepta-2,4,6-trienoyl]pyran-2-one
CID 136792263
4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
CID 137308663
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one (CID 137193275) is 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one is Cc1c(O)nc(C=Cc2ccc([N+](=O)[O-])cc2)oc1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one?
The InChIKey is FVLMRVFWXAVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8-12(16)14-11(20-13(8)17)7-4-9-2-5-10(6-3-9)15(18)19/h2-7,16H,1H3.
What are the key properties of 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one?
4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one has a molecular weight of 274.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazin-6-one is sourced from PubChem (CID 137193275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).