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

C17H25N5O3 — CID 118739599

IUPAC1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)N2CCOCC2)Cc2nccn2C1
InChIInChI=1S/C17H25N5O3/c23-16-2-1-4-21(16)11-14-10-20-5-3-18-15(20)13-22(12-14)17(24)19-6-8-25-9-7-19/h3,5,14H,1-2,4,6-13H2
InChIKeyNBWKZKINVAGDTB-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.39
Rot. Bonds2

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

1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (PubChem CID 118739599) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
PubChem CID118739599
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)N2CCOCC2)Cc2nccn2C1
InChIInChI=1S/C17H25N5O3/c23-16-2-1-4-21(16)11-14-10-20-5-3-18-15(20)13-22(12-14)17(24)19-6-8-25-9-7-19/h3,5,14H,1-2,4,6-13H2
InChIKeyNBWKZKINVAGDTB-UHFFFAOYSA-N
XLogP0.39
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(morpholine-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-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (CID 118739599) is 1-[[8-(morpholine-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-(morpholine-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-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CN(C(=O)N2CCOCC2)Cc2nccn2C1.
What is the InChIKey of 1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The InChIKey is NBWKZKINVAGDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-16-2-1-4-21(16)11-14-10-20-5-3-18-15(20)13-22(12-14)17(24)19-6-8-25-9-7-19/h3,5,14H,1-2,4,6-13H2.
What are the key properties of 1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118739599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).