2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one

C12H22N2O — CID 123994354

IUPAC2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one
SMILESCC(C)N1CC2CCCCCCN2C1=O
InChIInChI=1S/C12H22N2O/c1-10(2)14-9-11-7-5-3-4-6-8-13(11)12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyNOWWLOFLUFTQIJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.47
Rot. Bonds1

About 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one

2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one (PubChem CID 123994354) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one
PubChem CID123994354
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one
SMILESCC(C)N1CC2CCCCCCN2C1=O
InChIInChI=1S/C12H22N2O/c1-10(2)14-9-11-7-5-3-4-6-8-13(11)12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyNOWWLOFLUFTQIJ-UHFFFAOYSA-N
XLogP2.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one?
The IUPAC name of 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one (CID 123994354) is 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one.
What is the SMILES notation for 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one?
The canonical SMILES for 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one is CC(C)N1CC2CCCCCCN2C1=O.
What is the InChIKey of 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one?
The InChIKey is NOWWLOFLUFTQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)14-9-11-7-5-3-4-6-8-13(11)12(14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one?
2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one has a molecular weight of 210.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,5,6,7,8,9,10,10a-octahydroimidazo[1,5-a]azocin-3-one is sourced from PubChem (CID 123994354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).