3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione

C11H18N2O2 — CID 90706273

IUPAC3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
SMILESCC(C)CC1C(=O)NC2CCCC(=O)N21
InChIInChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)12-9-4-3-5-10(14)13(8)9/h7-9H,3-6H2,1-2H3,(H,12,15)
InChIKeyNKUPVYWGJGYSJH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.87
Rot. Bonds2

About 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione

3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione (PubChem CID 90706273) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
PubChem CID90706273
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
SMILESCC(C)CC1C(=O)NC2CCCC(=O)N21
InChIInChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)12-9-4-3-5-10(14)13(8)9/h7-9H,3-6H2,1-2H3,(H,12,15)
InChIKeyNKUPVYWGJGYSJH-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione with MolForge

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Related Compounds

Gancidin W
CID 7074739
3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 102892
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
(3R,8aS)-Hexahydro-3-(2-methylpropyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927565
3-sec-Butyl-pyrrolopiperazine-1,4-dione
CID 6428988
Cyclo(Ile-Pro)
CID 13654640
(2S)-2-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-amino-2-oxoethyl)-4-methylpentanamide
CID 10663749
(3S,8AR)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 7074740
Cyclo(D)-Pro-(D)-Leu
CID 927566
Cyclo(L-Pro-L-Ile)
CID 9990707

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione (CID 90706273) is 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione is CC(C)CC1C(=O)NC2CCCC(=O)N21.
What is the InChIKey of 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
The InChIKey is NKUPVYWGJGYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)12-9-4-3-5-10(14)13(8)9/h7-9H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione is sourced from PubChem (CID 90706273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).