11H-pyrrolo[2,1-b][3]benzazepine

C13H11N — CID 54568229

IUPAC11H-pyrrolo[2,1-b][3]benzazepine
SMILESC1=Cn2cccc2Cc2ccccc21
InChIInChI=1S/C13H11N/c1-2-5-12-10-13-6-3-8-14(13)9-7-11(12)4-1/h1-9H,10H2
InChIKeyZVJHKYFQORNKRJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP3.02
Rot. Bonds

About 11H-pyrrolo[2,1-b][3]benzazepine

11H-pyrrolo[2,1-b][3]benzazepine (PubChem CID 54568229) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 11H-pyrrolo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name11H-pyrrolo[2,1-b][3]benzazepine
PubChem CID54568229
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name11H-pyrrolo[2,1-b][3]benzazepine
SMILESC1=Cn2cccc2Cc2ccccc21
InChIInChI=1S/C13H11N/c1-2-5-12-10-13-6-3-8-14(13)9-7-11(12)4-1/h1-9H,10H2
InChIKeyZVJHKYFQORNKRJ-UHFFFAOYSA-N
XLogP3.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11H-pyrrolo[2,1-b][3]benzazepine?
The IUPAC name of 11H-pyrrolo[2,1-b][3]benzazepine (CID 54568229) is 11H-pyrrolo[2,1-b][3]benzazepine.
What is the SMILES notation for 11H-pyrrolo[2,1-b][3]benzazepine?
The canonical SMILES for 11H-pyrrolo[2,1-b][3]benzazepine is C1=Cn2cccc2Cc2ccccc21.
What is the InChIKey of 11H-pyrrolo[2,1-b][3]benzazepine?
The InChIKey is ZVJHKYFQORNKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-5-12-10-13-6-3-8-14(13)9-7-11(12)4-1/h1-9H,10H2.
What are the key properties of 11H-pyrrolo[2,1-b][3]benzazepine?
11H-pyrrolo[2,1-b][3]benzazepine has a molecular weight of 181.24 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-pyrrolo[2,1-b][3]benzazepine is sourced from PubChem (CID 54568229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).