3-acetyl-6-methyl-1,3-benzoxazol-2-one

C10H9NO3 — CID 59461762

IUPAC3-acetyl-6-methyl-1,3-benzoxazol-2-one
SMILESCC(=O)n1c(=O)oc2cc(C)ccc21
InChIInChI=1S/C10H9NO3/c1-6-3-4-8-9(5-6)14-10(13)11(8)7(2)12/h3-5H,1-2H3
InChIKeyGRSSHZFQEVWNKG-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.56
Rot. Bonds

About 3-acetyl-6-methyl-1,3-benzoxazol-2-one

3-acetyl-6-methyl-1,3-benzoxazol-2-one (PubChem CID 59461762) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-acetyl-6-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-acetyl-6-methyl-1,3-benzoxazol-2-one
PubChem CID59461762
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-acetyl-6-methyl-1,3-benzoxazol-2-one
SMILESCC(=O)n1c(=O)oc2cc(C)ccc21
InChIInChI=1S/C10H9NO3/c1-6-3-4-8-9(5-6)14-10(13)11(8)7(2)12/h3-5H,1-2H3
InChIKeyGRSSHZFQEVWNKG-UHFFFAOYSA-N
XLogP1.56
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
3-acetyl-5-(3-acetyl-6-chloro-2-oxo-1,3-benzoxazole-5-carbonyl)-6-chloro-1,3-benzoxazol-2-one
CID 23993912
3-(3-hydroxypropyl)-6-methyl-1,3-benzoxazol-2-one
CID 82344647
1-acetyl-6,6-dimethyl-7H-furo[3,2-f][1,3]benzoxazol-2-one
CID 11776712
3-cyclopentyl-6-methyl-1,3-benzoxazol-2-one
CID 54073449
6-methyl-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 73054095
sodium 8-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 70523195
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
N-(2-aminoethyl)-3-(6-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344653
3,6-dimethyl-1,3-benzoxazol-2-one;ethane;5-methyl-3H-1,3-benzoxazol-2-one
CID 162722532
prop-2-enyl 6-acetyl-2-oxo-1,3-benzoxazole-3-carboxylate
CID 69341366

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-acetyl-6-methyl-1,3-benzoxazol-2-one (CID 59461762) is 3-acetyl-6-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-acetyl-6-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-acetyl-6-methyl-1,3-benzoxazol-2-one is CC(=O)n1c(=O)oc2cc(C)ccc21.
What is the InChIKey of 3-acetyl-6-methyl-1,3-benzoxazol-2-one?
The InChIKey is GRSSHZFQEVWNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-3-4-8-9(5-6)14-10(13)11(8)7(2)12/h3-5H,1-2H3.
What are the key properties of 3-acetyl-6-methyl-1,3-benzoxazol-2-one?
3-acetyl-6-methyl-1,3-benzoxazol-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 59461762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).