2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide

C10H11N3O2 — CID 82492025

IUPAC2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C10H11N3O2/c1-5-10(14)13-7-4-6(9(11)12)2-3-8(7)15-5/h2-5H,1H3,(H3,11,12)(H,13,14)
InChIKeyWGZIFKHKIXBAJE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.69
Rot. Bonds1

About 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide

2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide (PubChem CID 82492025) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide.

Molecular Properties

Compound Name2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide
PubChem CID82492025
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C10H11N3O2/c1-5-10(14)13-7-4-6(9(11)12)2-3-8(7)15-5/h2-5H,1H3,(H3,11,12)(H,13,14)
InChIKeyWGZIFKHKIXBAJE-UHFFFAOYSA-N
XLogP0.69
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904
1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 115168250
4-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-oxobutanoate
CID 78464300
6-[2-(ethylamino)acetyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498658
2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463663
6-(3-bromobenzoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43340877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide?
The IUPAC name of 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide (CID 82492025) is 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide.
What is the SMILES notation for 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide?
The canonical SMILES for 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide?
The InChIKey is WGZIFKHKIXBAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5-10(14)13-7-4-6(9(11)12)2-3-8(7)15-5/h2-5H,1H3,(H3,11,12)(H,13,14).
What are the key properties of 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide?
2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide has a molecular weight of 205.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide is sourced from PubChem (CID 82492025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).