6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one

C11H14N2O2 — CID 82230416

IUPAC6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(N)c(C)c2c1OC(C)C(=O)N2
InChIInChI=1S/C11H14N2O2/c1-5-4-8(12)6(2)9-10(5)15-7(3)11(14)13-9/h4,7H,12H2,1-3H3,(H,13,14)
InChIKeyPKWMUDUZZHDXRQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.61
Rot. Bonds

About 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one

6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one (PubChem CID 82230416) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one
PubChem CID82230416
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(N)c(C)c2c1OC(C)C(=O)N2
InChIInChI=1S/C11H14N2O2/c1-5-4-8(12)6(2)9-10(5)15-7(3)11(14)13-9/h4,7H,12H2,1-3H3,(H,13,14)
InChIKeyPKWMUDUZZHDXRQ-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one
CID 82229995
5-amino-7-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 84741043
2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride
CID 82372083
(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
CID 94975892
6-bromo-7,8-dichloro-2-methyl-4H-1,4-benzoxazin-3-one
CID 82234325
6-(2-amino-4,5-dimethylthiophen-3-yl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82366118
8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
CID 86664225
9-amino-3,7-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230450
8-fluoro-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
CID 87121614
CID 70546334
CID 70546334
2-methyl-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 141425510
6-amino-8-methyl-2-phenyl-4H-1,4-benzoxazin-3-one
CID 82232598

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one (CID 82230416) is 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one is Cc1cc(N)c(C)c2c1OC(C)C(=O)N2.
What is the InChIKey of 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one?
The InChIKey is PKWMUDUZZHDXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-5-4-8(12)6(2)9-10(5)15-7(3)11(14)13-9/h4,7H,12H2,1-3H3,(H,13,14).
What are the key properties of 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one?
6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one has a molecular weight of 206.24 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,5,8-trimethyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82230416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).