2H-benzo[c][1]benzoxepin-1-ylidenemethanone

C15H10O2 — CID 154175361

IUPAC2H-benzo[c][1]benzoxepin-1-ylidenemethanone
SMILESO=C=C1CC=CC2=C1C=c1ccccc1=CO2
InChIInChI=1S/C15H10O2/c16-9-12-6-3-7-15-14(12)8-11-4-1-2-5-13(11)10-17-15/h1-5,7-8,10H,6H2
InChIKeyUNYGKQXUQYYBHB-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.21
Rot. Bonds

About 2H-benzo[c][1]benzoxepin-1-ylidenemethanone

2H-benzo[c][1]benzoxepin-1-ylidenemethanone (PubChem CID 154175361) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2H-benzo[c][1]benzoxepin-1-ylidenemethanone.

Molecular Properties

Compound Name2H-benzo[c][1]benzoxepin-1-ylidenemethanone
PubChem CID154175361
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name2H-benzo[c][1]benzoxepin-1-ylidenemethanone
SMILESO=C=C1CC=CC2=C1C=c1ccccc1=CO2
InChIInChI=1S/C15H10O2/c16-9-12-6-3-7-15-14(12)8-11-4-1-2-5-13(11)10-17-15/h1-5,7-8,10H,6H2
InChIKeyUNYGKQXUQYYBHB-UHFFFAOYSA-N
XLogP1.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-cyclohexyl-1-benzoxepine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2H-benzo[c][1]benzoxepin-1-ylidenemethanone?
The IUPAC name of 2H-benzo[c][1]benzoxepin-1-ylidenemethanone (CID 154175361) is 2H-benzo[c][1]benzoxepin-1-ylidenemethanone.
What is the SMILES notation for 2H-benzo[c][1]benzoxepin-1-ylidenemethanone?
The canonical SMILES for 2H-benzo[c][1]benzoxepin-1-ylidenemethanone is O=C=C1CC=CC2=C1C=c1ccccc1=CO2.
What is the InChIKey of 2H-benzo[c][1]benzoxepin-1-ylidenemethanone?
The InChIKey is UNYGKQXUQYYBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-9-12-6-3-7-15-14(12)8-11-4-1-2-5-13(11)10-17-15/h1-5,7-8,10H,6H2.
What are the key properties of 2H-benzo[c][1]benzoxepin-1-ylidenemethanone?
2H-benzo[c][1]benzoxepin-1-ylidenemethanone has a molecular weight of 222.24 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[c][1]benzoxepin-1-ylidenemethanone is sourced from PubChem (CID 154175361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).