11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine

C19H20N2 — CID 12909385

IUPAC11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccccc3C=Cn3cccc32)CC1
InChIInChI=1S/C19H20N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,10-11,14H,8-9,12-13H2,1H3
InChIKeyPLDCWFRDWHUWHR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.96
Rot. Bonds

About 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine

11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine (PubChem CID 12909385) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
PubChem CID12909385
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccccc3C=Cn3cccc32)CC1
InChIInChI=1S/C19H20N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,10-11,14H,8-9,12-13H2,1H3
InChIKeyPLDCWFRDWHUWHR-UHFFFAOYSA-N
XLogP3.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]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 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine?
The IUPAC name of 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine (CID 12909385) is 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine.
What is the SMILES notation for 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine?
The canonical SMILES for 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine is CN1CCC(=C2c3ccccc3C=Cn3cccc32)CC1.
What is the InChIKey of 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine?
The InChIKey is PLDCWFRDWHUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,10-11,14H,8-9,12-13H2,1H3.
What are the key properties of 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine?
11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine has a molecular weight of 276.38 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine is sourced from PubChem (CID 12909385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).