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

C17H26N4O2 — CID 131642346

IUPAC1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(CC2CCOC2)Cc2nccn2C1
InChIInChI=1S/C17H26N4O2/c22-17-2-1-5-21(17)11-15-9-19(8-14-3-7-23-13-14)12-16-18-4-6-20(16)10-15/h4,6,14-15H,1-3,5,7-13H2
InChIKeyAMOUVZRXLRPKGM-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.97
Rot. Bonds4

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

1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (PubChem CID 131642346) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
PubChem CID131642346
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(CC2CCOC2)Cc2nccn2C1
InChIInChI=1S/C17H26N4O2/c22-17-2-1-5-21(17)11-15-9-19(8-14-3-7-23-13-14)12-16-18-4-6-20(16)10-15/h4,6,14-15H,1-3,5,7-13H2
InChIKeyAMOUVZRXLRPKGM-UHFFFAOYSA-N
XLogP0.97
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (CID 131642346) is 1-[[8-(oxolan-3-ylmethyl)-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-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CN(CC2CCOC2)Cc2nccn2C1.
What is the InChIKey of 1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The InChIKey is AMOUVZRXLRPKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17-2-1-5-21(17)11-15-9-19(8-14-3-7-23-13-14)12-16-18-4-6-20(16)10-15/h4,6,14-15H,1-3,5,7-13H2.
What are the key properties of 1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(oxolan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131642346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).