benzo[b][1,4]benzoxazepin-6-amine

C13H10N2O — CID 3320059

IUPACbenzo[b][1,4]benzoxazepin-6-amine
SMILESNC1=Nc2ccccc2Oc2ccccc21
InChIInChI=1S/C13H10N2O/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H,(H2,14,15)
InChIKeyWJWDEWXJRCMLMU-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.83
Rot. Bonds

About benzo[b][1,4]benzoxazepin-6-amine

benzo[b][1,4]benzoxazepin-6-amine (PubChem CID 3320059) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is benzo[b][1,4]benzoxazepin-6-amine.

Molecular Properties

Compound Namebenzo[b][1,4]benzoxazepin-6-amine
PubChem CID3320059
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Namebenzo[b][1,4]benzoxazepin-6-amine
SMILESNC1=Nc2ccccc2Oc2ccccc21
InChIInChI=1S/C13H10N2O/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H,(H2,14,15)
InChIKeyWJWDEWXJRCMLMU-UHFFFAOYSA-N
XLogP2.83
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzo[b][1,4]benzoxazepin-6-amine?
The IUPAC name of benzo[b][1,4]benzoxazepin-6-amine (CID 3320059) is benzo[b][1,4]benzoxazepin-6-amine.
What is the SMILES notation for benzo[b][1,4]benzoxazepin-6-amine?
The canonical SMILES for benzo[b][1,4]benzoxazepin-6-amine is NC1=Nc2ccccc2Oc2ccccc21.
What is the InChIKey of benzo[b][1,4]benzoxazepin-6-amine?
The InChIKey is WJWDEWXJRCMLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H,(H2,14,15).
What are the key properties of benzo[b][1,4]benzoxazepin-6-amine?
benzo[b][1,4]benzoxazepin-6-amine has a molecular weight of 210.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1,4]benzoxazepin-6-amine is sourced from PubChem (CID 3320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).