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

C11H18N2O2 — CID 162987928

IUPAC(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
SMILESCC(C)C[C@@H]1C(=O)N[C@H]2CCCC(=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)/t8-,9-/m1/s1
InChIKeyNKUPVYWGJGYSJH-RKDXNWHRSA-N
MW210.28 g/mol
LogP0.87
Rot. Bonds2

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

(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione (PubChem CID 162987928) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione.

Molecular Properties

Compound Name(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
PubChem CID162987928
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
SMILESCC(C)C[C@@H]1C(=O)N[C@H]2CCCC(=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)/t8-,9-/m1/s1
InChIKeyNKUPVYWGJGYSJH-RKDXNWHRSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
The IUPAC name of (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione (CID 162987928) is (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione.
What is the SMILES notation for (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
The canonical SMILES for (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione is CC(C)C[C@@H]1C(=O)N[C@H]2CCCC(=O)N21.
What is the InChIKey of (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
The InChIKey is NKUPVYWGJGYSJH-RKDXNWHRSA-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)/t8-,9-/m1/s1.
What are the key properties of (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione?
(3R,8aR)-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 (3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione is sourced from PubChem (CID 162987928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).