1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one

C18H24N4O2 — CID 97405473

IUPAC1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ncn2c1CN(C(=O)C1CC=CC1)CCC2
InChIInChI=1S/C18H24N4O2/c23-17-7-3-8-20(17)11-15-16-12-21(9-4-10-22(16)13-19-15)18(24)14-5-1-2-6-14/h1-2,13-14H,3-12H2
InChIKeyPBOXLZZXODIRFE-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.70
Rot. Bonds3

About 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one

1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 97405473) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
PubChem CID97405473
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ncn2c1CN(C(=O)C1CC=CC1)CCC2
InChIInChI=1S/C18H24N4O2/c23-17-7-3-8-20(17)11-15-16-12-21(9-4-10-22(16)13-19-15)18(24)14-5-1-2-6-14/h1-2,13-14H,3-12H2
InChIKeyPBOXLZZXODIRFE-UHFFFAOYSA-N
XLogP1.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 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) is 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ncn2c1CN(C(=O)C1CC=CC1)CCC2.
What is the InChIKey of 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is PBOXLZZXODIRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-7-3-8-20(17)11-15-16-12-21(9-4-10-22(16)13-19-15)18(24)14-5-1-2-6-14/h1-2,13-14H,3-12H2.
What are the key properties of 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(cyclopent-3-ene-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97405473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).