1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine

C12H12N2 — CID 57282709

IUPAC1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine
SMILESC1=C2CNCC2=c2ccccc2=CN1
InChIInChI=1S/C12H12N2/c1-2-4-11-9(3-1)5-13-6-10-7-14-8-12(10)11/h1-6,13-14H,7-8H2
InChIKeyPRDYMYVRVXUGJG-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.33
Rot. Bonds

About 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine

1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine (PubChem CID 57282709) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine.

Molecular Properties

Compound Name1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine
PubChem CID57282709
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine
SMILESC1=C2CNCC2=c2ccccc2=CN1
InChIInChI=1S/C12H12N2/c1-2-4-11-9(3-1)5-13-6-10-7-14-8-12(10)11/h1-6,13-14H,7-8H2
InChIKeyPRDYMYVRVXUGJG-UHFFFAOYSA-N
XLogP-0.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine?
The IUPAC name of 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine (CID 57282709) is 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine.
What is the SMILES notation for 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine?
The canonical SMILES for 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine is C1=C2CNCC2=c2ccccc2=CN1.
What is the InChIKey of 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine?
The InChIKey is PRDYMYVRVXUGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-4-11-9(3-1)5-13-6-10-7-14-8-12(10)11/h1-6,13-14H,7-8H2.
What are the key properties of 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine?
1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine has a molecular weight of 184.24 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydropyrrolo[3,4-d][2]benzazepine is sourced from PubChem (CID 57282709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).