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

C16H24N4O2 — CID 97405469

IUPAC1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1
InChIInChI=1S/C16H24N4O2/c1-12(2)16(22)19-7-4-8-20-11-17-13(14(20)10-19)9-18-6-3-5-15(18)21/h11-12H,3-10H2,1-2H3
InChIKeyPYAPVRLTCKDYKS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.39
Rot. Bonds3

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

1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 97405469) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
PubChem CID97405469
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1
InChIInChI=1S/C16H24N4O2/c1-12(2)16(22)19-7-4-8-20-11-17-13(14(20)10-19)9-18-6-3-5-15(18)21/h11-12H,3-10H2,1-2H3
InChIKeyPYAPVRLTCKDYKS-UHFFFAOYSA-N
XLogP1.39
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one (CID 97405469) is 1-[[8-(2-methylpropanoyl)-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-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one is CC(C)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1.
What is the InChIKey of 1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is PYAPVRLTCKDYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)16(22)19-7-4-8-20-11-17-13(14(20)10-19)9-18-6-3-5-15(18)21/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one?
1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(2-methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97405469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).