5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one

C12H13NO2 — CID 143582572

IUPAC5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESC=CCN1C(=O)CCOc2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-8-13-10-5-3-4-6-11(10)15-9-7-12(13)14/h2-6H,1,7-9H2
InChIKeyOKIWFYOFNFQCLG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.99
Rot. Bonds2

About 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one

5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 143582572) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID143582572
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESC=CCN1C(=O)CCOc2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-8-13-10-5-3-4-6-11(10)15-9-7-12(13)14/h2-6H,1,7-9H2
InChIKeyOKIWFYOFNFQCLG-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
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 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 143582572) is 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one is C=CCN1C(=O)CCOc2ccccc21.
What is the InChIKey of 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is OKIWFYOFNFQCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-8-13-10-5-3-4-6-11(10)15-9-7-12(13)14/h2-6H,1,7-9H2.
What are the key properties of 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one?
5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 203.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 143582572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).