4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one

C16H15NO2 — CID 139748941

IUPAC4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one
SMILESCN(C)c1cccc2c1OCc1ccccc1C2=O
InChIInChI=1S/C16H15NO2/c1-17(2)14-9-5-8-13-15(18)12-7-4-3-6-11(12)10-19-16(13)14/h3-9H,10H2,1-2H3
InChIKeyZGIZVOUBDXROQQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.88
Rot. Bonds1

About 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one

4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one (PubChem CID 139748941) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one.

Molecular Properties

Compound Name4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one
PubChem CID139748941
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one
SMILESCN(C)c1cccc2c1OCc1ccccc1C2=O
InChIInChI=1S/C16H15NO2/c1-17(2)14-9-5-8-13-15(18)12-7-4-3-6-11(12)10-19-16(13)14/h3-9H,10H2,1-2H3
InChIKeyZGIZVOUBDXROQQ-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one?
The IUPAC name of 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one (CID 139748941) is 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one.
What is the SMILES notation for 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one?
The canonical SMILES for 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one is CN(C)c1cccc2c1OCc1ccccc1C2=O.
What is the InChIKey of 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one?
The InChIKey is ZGIZVOUBDXROQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(2)14-9-5-8-13-15(18)12-7-4-3-6-11(12)10-19-16(13)14/h3-9H,10H2,1-2H3.
What are the key properties of 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one?
4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one has a molecular weight of 253.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6H-benzo[c][1]benzoxepin-11-one is sourced from PubChem (CID 139748941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).