2-benzo[d][1]benzoxepin-7-ylidenepiperidine

C19H19NO — CID 70613644

IUPAC2-benzo[d][1]benzoxepin-7-ylidenepiperidine
SMILESc1ccc2c(c1)OCC(=C1CCCCN1)c1ccccc1-2
InChIInChI=1S/C19H19NO/c1-2-8-15-14(7-1)16-9-3-4-11-19(16)21-13-17(15)18-10-5-6-12-20-18/h1-4,7-9,11,20H,5-6,10,12-13H2
InChIKeyPNHFOFJIRWKBDR-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.23
Rot. Bonds

About 2-benzo[d][1]benzoxepin-7-ylidenepiperidine

2-benzo[d][1]benzoxepin-7-ylidenepiperidine (PubChem CID 70613644) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-benzo[d][1]benzoxepin-7-ylidenepiperidine.

Molecular Properties

Compound Name2-benzo[d][1]benzoxepin-7-ylidenepiperidine
PubChem CID70613644
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-benzo[d][1]benzoxepin-7-ylidenepiperidine
SMILESc1ccc2c(c1)OCC(=C1CCCCN1)c1ccccc1-2
InChIInChI=1S/C19H19NO/c1-2-8-15-14(7-1)16-9-3-4-11-19(16)21-13-17(15)18-10-5-6-12-20-18/h1-4,7-9,11,20H,5-6,10,12-13H2
InChIKeyPNHFOFJIRWKBDR-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[d][1]benzoxepin-7-ylidenepiperidine?
The IUPAC name of 2-benzo[d][1]benzoxepin-7-ylidenepiperidine (CID 70613644) is 2-benzo[d][1]benzoxepin-7-ylidenepiperidine.
What is the SMILES notation for 2-benzo[d][1]benzoxepin-7-ylidenepiperidine?
The canonical SMILES for 2-benzo[d][1]benzoxepin-7-ylidenepiperidine is c1ccc2c(c1)OCC(=C1CCCCN1)c1ccccc1-2.
What is the InChIKey of 2-benzo[d][1]benzoxepin-7-ylidenepiperidine?
The InChIKey is PNHFOFJIRWKBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-8-15-14(7-1)16-9-3-4-11-19(16)21-13-17(15)18-10-5-6-12-20-18/h1-4,7-9,11,20H,5-6,10,12-13H2.
What are the key properties of 2-benzo[d][1]benzoxepin-7-ylidenepiperidine?
2-benzo[d][1]benzoxepin-7-ylidenepiperidine has a molecular weight of 277.37 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[d][1]benzoxepin-7-ylidenepiperidine is sourced from PubChem (CID 70613644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).