1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one

C14H12N2O — CID 67943327

IUPAC1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESNc1cccc2c1Cc1ccccc1C(=O)N2
InChIInChI=1S/C14H12N2O/c15-12-6-3-7-13-11(12)8-9-4-1-2-5-10(9)14(17)16-13/h1-7H,8,15H2,(H,16,17)
InChIKeyRTWXXAKEIMRRLC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.43
Rot. Bonds

About 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one

1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one (PubChem CID 67943327) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one
PubChem CID67943327
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESNc1cccc2c1Cc1ccccc1C(=O)N2
InChIInChI=1S/C14H12N2O/c15-12-6-3-7-13-11(12)8-9-4-1-2-5-10(9)14(17)16-13/h1-7H,8,15H2,(H,16,17)
InChIKeyRTWXXAKEIMRRLC-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The IUPAC name of 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one (CID 67943327) is 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The canonical SMILES for 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one is Nc1cccc2c1Cc1ccccc1C(=O)N2.
What is the InChIKey of 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The InChIKey is RTWXXAKEIMRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-12-6-3-7-13-11(12)8-9-4-1-2-5-10(9)14(17)16-13/h1-7H,8,15H2,(H,16,17).
What are the key properties of 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one?
1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one has a molecular weight of 224.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 67943327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).