3-methyl-5,6-dihydro-1,3-benzoxazol-2-one

C8H9NO2 — CID 163865685

IUPAC3-methyl-5,6-dihydro-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C8H9NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h4-5H,2-3H2,1H3
InChIKeyPGKFBBLLXMBLJX-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.67
Rot. Bonds

About 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one

3-methyl-5,6-dihydro-1,3-benzoxazol-2-one (PubChem CID 163865685) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-1,3-benzoxazol-2-one
PubChem CID163865685
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-methyl-5,6-dihydro-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C8H9NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h4-5H,2-3H2,1H3
InChIKeyPGKFBBLLXMBLJX-UHFFFAOYSA-N
XLogP-0.67
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one (CID 163865685) is 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one is Cn1c(=O)oc2c1=CCCC=2.
What is the InChIKey of 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one?
The InChIKey is PGKFBBLLXMBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h4-5H,2-3H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one?
3-methyl-5,6-dihydro-1,3-benzoxazol-2-one has a molecular weight of 151.16 g/mol, XLogP of -0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 163865685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).