2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

C22H24N2O — CID 3692932

IUPAC2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H24N2O/c1-3-15-23(16-4-2)17-22(25)24-20-11-7-5-9-18(20)13-14-19-10-6-8-12-21(19)24/h3-12H,1-2,13-17H2
InChIKeyLCQSOBCCANNUIN-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.12
Rot. Bonds6

About 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone (PubChem CID 3692932) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
PubChem CID3692932
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
SMILESC=CCN(CC=C)CC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H24N2O/c1-3-15-23(16-4-2)17-22(25)24-20-11-7-5-9-18(20)13-14-19-10-6-8-12-21(19)24/h3-12H,1-2,13-17H2
InChIKeyLCQSOBCCANNUIN-UHFFFAOYSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone 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 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone (CID 3692932) is 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone is C=CCN(CC=C)CC(=O)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
The InChIKey is LCQSOBCCANNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-3-15-23(16-4-2)17-22(25)24-20-11-7-5-9-18(20)13-14-19-10-6-8-12-21(19)24/h3-12H,1-2,13-17H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone has a molecular weight of 332.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone is sourced from PubChem (CID 3692932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).