1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one

C14H13NO — CID 18968903

IUPAC1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one
SMILESO=C1CCCc2c(ccc3ccccc23)N1
InChIInChI=1S/C14H13NO/c16-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)15-14/h1-2,4-5,8-9H,3,6-7H2,(H,15,16)
InChIKeyJQFNQEHAIUGKPJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.11
Rot. Bonds

About 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one

1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one (PubChem CID 18968903) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one.

Molecular Properties

Compound Name1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one
PubChem CID18968903
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one
SMILESO=C1CCCc2c(ccc3ccccc23)N1
InChIInChI=1S/C14H13NO/c16-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)15-14/h1-2,4-5,8-9H,3,6-7H2,(H,15,16)
InChIKeyJQFNQEHAIUGKPJ-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one?
The IUPAC name of 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one (CID 18968903) is 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one.
What is the SMILES notation for 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one?
The canonical SMILES for 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one is O=C1CCCc2c(ccc3ccccc23)N1.
What is the InChIKey of 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one?
The InChIKey is JQFNQEHAIUGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)15-14/h1-2,4-5,8-9H,3,6-7H2,(H,15,16).
What are the key properties of 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one?
1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one has a molecular weight of 211.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydrobenzo[g][1]benzazepin-4-one is sourced from PubChem (CID 18968903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).