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

C10H11NO2 — CID 89222087

IUPAC4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one
SMILESCc1ccc2c(c1)C(C)NC(=O)O2
InChIInChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)7(2)11-10(12)13-9/h3-5,7H,1-2H3,(H,11,12)
InChIKeyLSVORQXKIGOEME-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.16
Rot. Bonds

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

4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one (PubChem CID 89222087) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one
PubChem CID89222087
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one
SMILESCc1ccc2c(c1)C(C)NC(=O)O2
InChIInChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)7(2)11-10(12)13-9/h3-5,7H,1-2H3,(H,11,12)
InChIKeyLSVORQXKIGOEME-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one?
The IUPAC name of 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one (CID 89222087) is 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one.
What is the SMILES notation for 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one?
The canonical SMILES for 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one is Cc1ccc2c(c1)C(C)NC(=O)O2.
What is the InChIKey of 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one?
The InChIKey is LSVORQXKIGOEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-3-4-9-8(5-6)7(2)11-10(12)13-9/h3-5,7H,1-2H3,(H,11,12).
What are the key properties of 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one?
4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one has a molecular weight of 177.20 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one is sourced from PubChem (CID 89222087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).