2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one

C17H22N2O2 — CID 14547370

IUPAC2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
SMILESCC(C)C(=O)N1CC(=O)N2CCCc3ccccc3C2C1
InChIInChI=1S/C17H22N2O2/c1-12(2)17(21)18-10-15-14-8-4-3-6-13(14)7-5-9-19(15)16(20)11-18/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyWOABSOPDDGIPKT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.00
Rot. Bonds1

About 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one

2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one (PubChem CID 14547370) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one.

Molecular Properties

Compound Name2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
PubChem CID14547370
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
SMILESCC(C)C(=O)N1CC(=O)N2CCCc3ccccc3C2C1
InChIInChI=1S/C17H22N2O2/c1-12(2)17(21)18-10-15-14-8-4-3-6-13(14)7-5-9-19(15)16(20)11-18/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyWOABSOPDDGIPKT-UHFFFAOYSA-N
XLogP2.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The IUPAC name of 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one (CID 14547370) is 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one.
What is the SMILES notation for 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The canonical SMILES for 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one is CC(C)C(=O)N1CC(=O)N2CCCc3ccccc3C2C1.
What is the InChIKey of 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
The InChIKey is WOABSOPDDGIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)17(21)18-10-15-14-8-4-3-6-13(14)7-5-9-19(15)16(20)11-18/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3.
What are the key properties of 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one?
2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one has a molecular weight of 286.38 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one is sourced from PubChem (CID 14547370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).