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

C16H23N3O2 — CID 97475246

IUPACcyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCCOC[C@@H]1CN(C(=O)C2CC=CC2)Cc2cncn2C1
InChIInChI=1S/C16H23N3O2/c1-2-21-11-13-8-18(16(20)14-5-3-4-6-14)10-15-7-17-12-19(15)9-13/h3-4,7,12-14H,2,5-6,8-11H2,1H3/t13-/m1/s1
InChIKeyJBSKQDOFJQGXLJ-CYBMUJFWSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds4

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

cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 97475246) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
PubChem CID97475246
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namecyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCCOC[C@@H]1CN(C(=O)C2CC=CC2)Cc2cncn2C1
InChIInChI=1S/C16H23N3O2/c1-2-21-11-13-8-18(16(20)14-5-3-4-6-14)10-15-7-17-12-19(15)9-13/h3-4,7,12-14H,2,5-6,8-11H2,1H3/t13-/m1/s1
InChIKeyJBSKQDOFJQGXLJ-CYBMUJFWSA-N
XLogP1.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
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-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-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

Related Compounds

1-[[8-(Cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97405473
Cyclopent-3-en-1-yl-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 98614601
Cyclopent-3-en-1-yl-[3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]azetidin-1-yl]methanone
CID 124046985
1-[6-(Cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]propan-1-one
CID 131658467
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 167222214
8-[(3E)-3-hexenoyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56917654
1-(5,6,7,9-Tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)hex-3-en-1-one
CID 72074167
cyclopent-3-en-1-yl-[(6R)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97389147
cyclopent-3-en-1-yl-[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97389148
Cyclopent-3-en-1-yl-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97390211
1-[(6S)-6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]propan-1-one
CID 97474721
1-[(6R)-6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]propan-1-one
CID 97474722

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 97475246) is cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is CCOC[C@@H]1CN(C(=O)C2CC=CC2)Cc2cncn2C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The InChIKey is JBSKQDOFJQGXLJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-21-11-13-8-18(16(20)14-5-3-4-6-14)10-15-7-17-12-19(15)9-13/h3-4,7,12-14H,2,5-6,8-11H2,1H3/t13-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
cyclopent-3-en-1-yl-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.84, 4 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-[(6S)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 97475246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).