4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one

C10H9NO2 — CID 68619825

IUPAC4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESC=CC1OC(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO2/c1-2-9-7-5-3-4-6-8(7)11-10(12)13-9/h2-6,9H,1H2,(H,11,12)
InChIKeyRBWLAHMRXKYMBU-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.48
Rot. Bonds1

About 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one

4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 68619825) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID68619825
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESC=CC1OC(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO2/c1-2-9-7-5-3-4-6-8(7)11-10(12)13-9/h2-6,9H,1H2,(H,11,12)
InChIKeyRBWLAHMRXKYMBU-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one (CID 68619825) is 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one is C=CC1OC(=O)Nc2ccccc21.
What is the InChIKey of 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is RBWLAHMRXKYMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-9-7-5-3-4-6-8(7)11-10(12)13-9/h2-6,9H,1H2,(H,11,12).
What are the key properties of 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one?
4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 175.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 68619825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).