1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone

C20H17NO2 — CID 102047890

IUPAC1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone
SMILESCC(=O)N1c2ccccc2CCc2ccc(-c3ccco3)cc21
InChIInChI=1S/C20H17NO2/c1-14(22)21-18-6-3-2-5-15(18)8-9-16-10-11-17(13-19(16)21)20-7-4-12-23-20/h2-7,10-13H,8-9H2,1H3
InChIKeyAYSLZTMJSDNHKN-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.73
Rot. Bonds1

About 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone

1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone (PubChem CID 102047890) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone
PubChem CID102047890
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone
SMILESCC(=O)N1c2ccccc2CCc2ccc(-c3ccco3)cc21
InChIInChI=1S/C20H17NO2/c1-14(22)21-18-6-3-2-5-15(18)8-9-16-10-11-17(13-19(16)21)20-7-4-12-23-20/h2-7,10-13H,8-9H2,1H3
InChIKeyAYSLZTMJSDNHKN-UHFFFAOYSA-N
XLogP4.73
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone?
The IUPAC name of 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone (CID 102047890) is 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone.
What is the SMILES notation for 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone?
The canonical SMILES for 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone is CC(=O)N1c2ccccc2CCc2ccc(-c3ccco3)cc21.
What is the InChIKey of 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone?
The InChIKey is AYSLZTMJSDNHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-14(22)21-18-6-3-2-5-15(18)8-9-16-10-11-17(13-19(16)21)20-7-4-12-23-20/h2-7,10-13H,8-9H2,1H3.
What are the key properties of 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone?
1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone has a molecular weight of 303.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone is sourced from PubChem (CID 102047890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).