1,3-dihydrobenzo[d][1]benzazepin-2-one

C14H11NO — CID 134163497

IUPAC1,3-dihydrobenzo[d][1]benzazepin-2-one
SMILESO=C1CC=C2N=CC=c3ccccc3=C2C1
InChIInChI=1S/C14H11NO/c16-11-5-6-14-13(9-11)12-4-2-1-3-10(12)7-8-15-14/h1-4,6-8H,5,9H2
InChIKeyNQFGYVWKXQLZNT-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.95
Rot. Bonds

About 1,3-dihydrobenzo[d][1]benzazepin-2-one

1,3-dihydrobenzo[d][1]benzazepin-2-one (PubChem CID 134163497) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 1,3-dihydrobenzo[d][1]benzazepin-2-one.

Molecular Properties

Compound Name1,3-dihydrobenzo[d][1]benzazepin-2-one
PubChem CID134163497
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name1,3-dihydrobenzo[d][1]benzazepin-2-one
SMILESO=C1CC=C2N=CC=c3ccccc3=C2C1
InChIInChI=1S/C14H11NO/c16-11-5-6-14-13(9-11)12-4-2-1-3-10(12)7-8-15-14/h1-4,6-8H,5,9H2
InChIKeyNQFGYVWKXQLZNT-UHFFFAOYSA-N
XLogP0.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzo[d][1]benzazepin-2-one?
The IUPAC name of 1,3-dihydrobenzo[d][1]benzazepin-2-one (CID 134163497) is 1,3-dihydrobenzo[d][1]benzazepin-2-one.
What is the SMILES notation for 1,3-dihydrobenzo[d][1]benzazepin-2-one?
The canonical SMILES for 1,3-dihydrobenzo[d][1]benzazepin-2-one is O=C1CC=C2N=CC=c3ccccc3=C2C1.
What is the InChIKey of 1,3-dihydrobenzo[d][1]benzazepin-2-one?
The InChIKey is NQFGYVWKXQLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-11-5-6-14-13(9-11)12-4-2-1-3-10(12)7-8-15-14/h1-4,6-8H,5,9H2.
What are the key properties of 1,3-dihydrobenzo[d][1]benzazepin-2-one?
1,3-dihydrobenzo[d][1]benzazepin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzo[d][1]benzazepin-2-one is sourced from PubChem (CID 134163497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).