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

C18H22N4O3 — CID 97405466

IUPAC1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
SMILESCc1occc1C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1
InChIInChI=1S/C18H22N4O3/c1-13-14(5-9-25-13)18(24)21-7-3-8-22-12-19-15(16(22)11-21)10-20-6-2-4-17(20)23/h5,9,12H,2-4,6-8,10-11H2,1H3
InChIKeyGMLFGTBDTCMUSM-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.95
Rot. Bonds3

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

1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 97405466) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
PubChem CID97405466
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
SMILESCc1occc1C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1
InChIInChI=1S/C18H22N4O3/c1-13-14(5-9-25-13)18(24)21-7-3-8-22-12-19-15(16(22)11-21)10-20-6-2-4-17(20)23/h5,9,12H,2-4,6-8,10-11H2,1H3
InChIKeyGMLFGTBDTCMUSM-UHFFFAOYSA-N
XLogP1.95
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one (CID 97405466) is 1-[[8-(2-methylfuran-3-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-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one is Cc1occc1C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1.
What is the InChIKey of 1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is GMLFGTBDTCMUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-14(5-9-25-13)18(24)21-7-3-8-22-12-19-15(16(22)11-21)10-20-6-2-4-17(20)23/h5,9,12H,2-4,6-8,10-11H2,1H3.
What are the key properties of 1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(2-methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97405466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).