9H-pyrrolo[1,2-b][2]benzazepine

C13H11N — CID 160669887

IUPAC9H-pyrrolo[1,2-b][2]benzazepine
SMILESC1=CC2=CC=c3ccccc3=CN2C1
InChIInChI=1S/C13H11N/c1-2-5-12-10-14-9-3-6-13(14)8-7-11(12)4-1/h1-8,10H,9H2
InChIKeyMGRXBNKCKMNVOU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.97
Rot. Bonds

About 9H-pyrrolo[1,2-b][2]benzazepine

9H-pyrrolo[1,2-b][2]benzazepine (PubChem CID 160669887) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 9H-pyrrolo[1,2-b][2]benzazepine.

Molecular Properties

Compound Name9H-pyrrolo[1,2-b][2]benzazepine
PubChem CID160669887
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name9H-pyrrolo[1,2-b][2]benzazepine
SMILESC1=CC2=CC=c3ccccc3=CN2C1
InChIInChI=1S/C13H11N/c1-2-5-12-10-14-9-3-6-13(14)8-7-11(12)4-1/h1-8,10H,9H2
InChIKeyMGRXBNKCKMNVOU-UHFFFAOYSA-N
XLogP0.97
TPSA3.24 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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrrolo[1,2-b][2]benzazepine?
The IUPAC name of 9H-pyrrolo[1,2-b][2]benzazepine (CID 160669887) is 9H-pyrrolo[1,2-b][2]benzazepine.
What is the SMILES notation for 9H-pyrrolo[1,2-b][2]benzazepine?
The canonical SMILES for 9H-pyrrolo[1,2-b][2]benzazepine is C1=CC2=CC=c3ccccc3=CN2C1.
What is the InChIKey of 9H-pyrrolo[1,2-b][2]benzazepine?
The InChIKey is MGRXBNKCKMNVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-5-12-10-14-9-3-6-13(14)8-7-11(12)4-1/h1-8,10H,9H2.
What are the key properties of 9H-pyrrolo[1,2-b][2]benzazepine?
9H-pyrrolo[1,2-b][2]benzazepine has a molecular weight of 181.24 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrrolo[1,2-b][2]benzazepine is sourced from PubChem (CID 160669887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).