7-methyl-3H-1,3-benzoxazol-2-one

C8H7NO2 — CID 11744791

IUPAC7-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKeyYTLYBSLIQYPIKP-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.43
Rot. Bonds

About 7-methyl-3H-1,3-benzoxazol-2-one

7-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 11744791) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 7-methyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-methyl-3H-1,3-benzoxazol-2-one
PubChem CID11744791
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name7-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKeyYTLYBSLIQYPIKP-UHFFFAOYSA-N
XLogP1.43
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-methyl-3H-1,3-benzoxazol-2-one (CID 11744791) is 7-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-methyl-3H-1,3-benzoxazol-2-one is Cc1cccc2[nH]c(=O)oc12.
What is the InChIKey of 7-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is YTLYBSLIQYPIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10).
What are the key properties of 7-methyl-3H-1,3-benzoxazol-2-one?
7-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 149.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 11744791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).