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

C18H26N4O3 — CID 118739597

IUPAC1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)C2CCOCC2)Cc2nccn2C1
InChIInChI=1S/C18H26N4O3/c23-17-2-1-6-21(17)11-14-10-20-7-5-19-16(20)13-22(12-14)18(24)15-3-8-25-9-4-15/h5,7,14-15H,1-4,6,8-13H2
InChIKeyHUYSBNADDSTDAV-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.89
Rot. Bonds3

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

1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (PubChem CID 118739597) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
PubChem CID118739597
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)C2CCOCC2)Cc2nccn2C1
InChIInChI=1S/C18H26N4O3/c23-17-2-1-6-21(17)11-14-10-20-7-5-19-16(20)13-22(12-14)18(24)15-3-8-25-9-4-15/h5,7,14-15H,1-4,6,8-13H2
InChIKeyHUYSBNADDSTDAV-UHFFFAOYSA-N
XLogP0.89
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (CID 118739597) is 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CN(C(=O)C2CCOCC2)Cc2nccn2C1.
What is the InChIKey of 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The InChIKey is HUYSBNADDSTDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17-2-1-6-21(17)11-14-10-20-7-5-19-16(20)13-22(12-14)18(24)15-3-8-25-9-4-15/h5,7,14-15H,1-4,6,8-13H2.
What are the key properties of 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(oxane-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118739597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).