8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione

C12H11NO4 — CID 12803693

IUPAC8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione
SMILESC=CCc1cc(OC)c2oc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO4/c1-3-4-7-5-8-10(9(6-7)16-2)17-12(15)11(14)13-8/h3,5-6H,1,4H2,2H3,(H,13,14)
InChIKeyHWSCXELFFKDRIE-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.22
Rot. Bonds3

About 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione

8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione (PubChem CID 12803693) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione.

Molecular Properties

Compound Name8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione
PubChem CID12803693
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione
SMILESC=CCc1cc(OC)c2oc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO4/c1-3-4-7-5-8-10(9(6-7)16-2)17-12(15)11(14)13-8/h3,5-6H,1,4H2,2H3,(H,13,14)
InChIKeyHWSCXELFFKDRIE-UHFFFAOYSA-N
XLogP1.22
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
CID 3236663
2-[3-(4-Hexyl-2-hydroxyphenoxy)anilino]-2-oxoacetic acid
CID 44450058
[3-methyl-4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]phenyl] acetate
CID 57585514
7,8-dimethoxy-4-methyl-1H-quinolin-2-one
CID 42618028
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide
CID 732520
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylphenoxy)acetamide
CID 3146685
6,7,8,9-tetrahydro-4H-benzo[g][1,4]benzoxazine-2,3-dione
CID 13060042
2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-propyl-
CID 3040328
2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-8-methoxy-2-methyl-6-(2-peopwnyl)-
CID 3040333
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 786425
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-YL)acetamide
CID 3155029
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3324478

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione?
The IUPAC name of 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione (CID 12803693) is 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione.
What is the SMILES notation for 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione?
The canonical SMILES for 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione is C=CCc1cc(OC)c2oc(=O)c(=O)[nH]c2c1.
What is the InChIKey of 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione?
The InChIKey is HWSCXELFFKDRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-3-4-7-5-8-10(9(6-7)16-2)17-12(15)11(14)13-8/h3,5-6H,1,4H2,2H3,(H,13,14).
What are the key properties of 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione?
8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione has a molecular weight of 233.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-prop-2-enyl-4H-1,4-benzoxazine-2,3-dione is sourced from PubChem (CID 12803693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).