cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone

C18H26N4O — CID 118740933

IUPACcyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESO=C(C1CC=CC1)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C18H26N4O/c23-18(16-5-1-2-6-16)22-13-15(11-20-8-3-4-9-20)12-21-10-7-19-17(21)14-22/h1-2,7,10,15-16H,3-6,8-9,11-14H2
InChIKeyFAODEJDLELSEFX-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.90
Rot. Bonds3

About cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone

cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (PubChem CID 118740933) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
PubChem CID118740933
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Namecyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESO=C(C1CC=CC1)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C18H26N4O/c23-18(16-5-1-2-6-16)22-13-15(11-20-8-3-4-9-20)12-21-10-7-19-17(21)14-22/h1-2,7,10,15-16H,3-6,8-9,11-14H2
InChIKeyFAODEJDLELSEFX-UHFFFAOYSA-N
XLogP1.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone 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 cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (CID 118740933) is cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is O=C(C1CC=CC1)N1Cc2nccn2CC(CN2CCCC2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The InChIKey is FAODEJDLELSEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c23-18(16-5-1-2-6-16)22-13-15(11-20-8-3-4-9-20)12-21-10-7-19-17(21)14-22/h1-2,7,10,15-16H,3-6,8-9,11-14H2.
What are the key properties of cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 118740933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).