2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one

C10H11NO2 — CID 121370933

IUPAC2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one
SMILESCc1ccc2c(c1)C(=O)OC(C)N2
InChIInChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)10(12)13-7(2)11-9/h3-5,7,11H,1-2H3
InChIKeyFWSBLTTVRFRBHP-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.92
Rot. Bonds

About 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one

2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one (PubChem CID 121370933) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one
PubChem CID121370933
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one
SMILESCc1ccc2c(c1)C(=O)OC(C)N2
InChIInChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)10(12)13-7(2)11-9/h3-5,7,11H,1-2H3
InChIKeyFWSBLTTVRFRBHP-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one?
The IUPAC name of 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one (CID 121370933) is 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one.
What is the SMILES notation for 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one?
The canonical SMILES for 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one is Cc1ccc2c(c1)C(=O)OC(C)N2.
What is the InChIKey of 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one?
The InChIKey is FWSBLTTVRFRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)10(12)13-7(2)11-9/h3-5,7,11H,1-2H3.
What are the key properties of 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one?
2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one is sourced from PubChem (CID 121370933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).