2-chloro-11H-benzo[b][1]benzazepine

C14H10ClN — CID 614921

IUPAC2-chloro-11H-benzo[b][1]benzazepine
SMILESClc1ccc2c(c1)Nc1ccccc1C=C2
InChIInChI=1S/C14H10ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-9,16H
InChIKeyQWVAWNHYONGJOY-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.57
Rot. Bonds

About 2-chloro-11H-benzo[b][1]benzazepine

2-chloro-11H-benzo[b][1]benzazepine (PubChem CID 614921) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-11H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name2-chloro-11H-benzo[b][1]benzazepine
PubChem CID614921
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name2-chloro-11H-benzo[b][1]benzazepine
SMILESClc1ccc2c(c1)Nc1ccccc1C=C2
InChIInChI=1S/C14H10ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-9,16H
InChIKeyQWVAWNHYONGJOY-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-11H-benzo[b][1]benzazepine?
The IUPAC name of 2-chloro-11H-benzo[b][1]benzazepine (CID 614921) is 2-chloro-11H-benzo[b][1]benzazepine.
What is the SMILES notation for 2-chloro-11H-benzo[b][1]benzazepine?
The canonical SMILES for 2-chloro-11H-benzo[b][1]benzazepine is Clc1ccc2c(c1)Nc1ccccc1C=C2.
What is the InChIKey of 2-chloro-11H-benzo[b][1]benzazepine?
The InChIKey is QWVAWNHYONGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-9,16H.
What are the key properties of 2-chloro-11H-benzo[b][1]benzazepine?
2-chloro-11H-benzo[b][1]benzazepine has a molecular weight of 227.69 g/mol, XLogP of 4.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11H-benzo[b][1]benzazepine is sourced from PubChem (CID 614921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).