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

C14H11NO — CID 87784893

IUPAC2,3-dihydrobenzo[d][1]benzazepin-1-one
SMILESO=C1CCC=C2N=CC=c3ccccc3=C12
InChIInChI=1S/C14H11NO/c16-13-7-3-6-12-14(13)11-5-2-1-4-10(11)8-9-15-12/h1-2,4-6,8-9H,3,7H2
InChIKeyAESCTYRNXAWZCD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.95
Rot. Bonds

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

2,3-dihydrobenzo[d][1]benzazepin-1-one (PubChem CID 87784893) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,3-dihydrobenzo[d][1]benzazepin-1-one.

Molecular Properties

Compound Name2,3-dihydrobenzo[d][1]benzazepin-1-one
PubChem CID87784893
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2,3-dihydrobenzo[d][1]benzazepin-1-one
SMILESO=C1CCC=C2N=CC=c3ccccc3=C12
InChIInChI=1S/C14H11NO/c16-13-7-3-6-12-14(13)11-5-2-1-4-10(11)8-9-15-12/h1-2,4-6,8-9H,3,7H2
InChIKeyAESCTYRNXAWZCD-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 2,3-dihydrobenzo[d][1]benzazepin-1-one?
The IUPAC name of 2,3-dihydrobenzo[d][1]benzazepin-1-one (CID 87784893) is 2,3-dihydrobenzo[d][1]benzazepin-1-one.
What is the SMILES notation for 2,3-dihydrobenzo[d][1]benzazepin-1-one?
The canonical SMILES for 2,3-dihydrobenzo[d][1]benzazepin-1-one is O=C1CCC=C2N=CC=c3ccccc3=C12.
What is the InChIKey of 2,3-dihydrobenzo[d][1]benzazepin-1-one?
The InChIKey is AESCTYRNXAWZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-13-7-3-6-12-14(13)11-5-2-1-4-10(11)8-9-15-12/h1-2,4-6,8-9H,3,7H2.
What are the key properties of 2,3-dihydrobenzo[d][1]benzazepin-1-one?
2,3-dihydrobenzo[d][1]benzazepin-1-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 2,3-dihydrobenzo[d][1]benzazepin-1-one is sourced from PubChem (CID 87784893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).