7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one

C10H11NO3 — CID 162417326

IUPAC7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
SMILESCOc1ccc2c(c1)OCN(C)C2=O
InChIInChI=1S/C10H11NO3/c1-11-6-14-9-5-7(13-2)3-4-8(9)10(11)12/h3-5H,6H2,1-2H3
InChIKeyLXURTXVKLDYDAV-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.12
Rot. Bonds1

About 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one

7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one (PubChem CID 162417326) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
PubChem CID162417326
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
SMILESCOc1ccc2c(c1)OCN(C)C2=O
InChIInChI=1S/C10H11NO3/c1-11-6-14-9-5-7(13-2)3-4-8(9)10(11)12/h3-5H,6H2,1-2H3
InChIKeyLXURTXVKLDYDAV-UHFFFAOYSA-N
XLogP1.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one?
The IUPAC name of 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one (CID 162417326) is 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one.
What is the SMILES notation for 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one?
The canonical SMILES for 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one is COc1ccc2c(c1)OCN(C)C2=O.
What is the InChIKey of 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one?
The InChIKey is LXURTXVKLDYDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-6-14-9-5-7(13-2)3-4-8(9)10(11)12/h3-5H,6H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one?
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one has a molecular weight of 193.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one is sourced from PubChem (CID 162417326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).