6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one

C10H11NO2 — CID 146550515

IUPAC6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESC=CC1C=Cc2c(oc(=O)n2C)C1
InChIInChI=1S/C10H11NO2/c1-3-7-4-5-8-9(6-7)13-10(12)11(8)2/h3-5,7H,1,6H2,2H3
InChIKeyVYWJIAYYAMDBNI-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.35
Rot. Bonds1

About 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one

6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one (PubChem CID 146550515) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
PubChem CID146550515
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESC=CC1C=Cc2c(oc(=O)n2C)C1
InChIInChI=1S/C10H11NO2/c1-3-7-4-5-8-9(6-7)13-10(12)11(8)2/h3-5,7H,1,6H2,2H3
InChIKeyVYWJIAYYAMDBNI-UHFFFAOYSA-N
XLogP1.35
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one (CID 146550515) is 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one is C=CC1C=Cc2c(oc(=O)n2C)C1.
What is the InChIKey of 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The InChIKey is VYWJIAYYAMDBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-7-4-5-8-9(6-7)13-10(12)11(8)2/h3-5,7H,1,6H2,2H3.
What are the key properties of 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 146550515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).