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

C7H10N2O2 — CID 19888489

IUPAC1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione
SMILESO=C1CCN2CCNC2C1=O
InChIInChI=1S/C7H10N2O2/c10-5-1-3-9-4-2-8-7(9)6(5)11/h7-8H,1-4H2
InChIKeyIBKIXODAJMBRCA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.24
Rot. Bonds

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

1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione (PubChem CID 19888489) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione.

Molecular Properties

Compound Name1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione
PubChem CID19888489
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione
SMILESO=C1CCN2CCNC2C1=O
InChIInChI=1S/C7H10N2O2/c10-5-1-3-9-4-2-8-7(9)6(5)11/h7-8H,1-4H2
InChIKeyIBKIXODAJMBRCA-UHFFFAOYSA-N
XLogP-1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(8aS)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 55300034
1-[6-(Methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
CID 58849809
2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one
CID 69461163
2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 76225453
Ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
CID 143036445
(4R,8aS)-4-methyl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 156388189
1-[2-(2-Oxoimidazolidin-1-yl)ethyl]piperidin-3-one
CID 81716023
(8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 124660740
1-(2-Methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl)ethanone
CID 178865252
1-(1,2,3,5,6,7,8,8a-Octahydroimidazo[1,2-a]pyrazin-3-yl)ethanone
CID 178865527
2,3-dimethyl-2,3,5,6,7,8a-hexahydro-1H-imidazo[1,2-a]pyridin-8-one
CID 178866079
2,3,5,6,7,8a-hexahydro-1H-imidazo[1,2-a]pyridin-8-one
CID 178868838

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione?
The IUPAC name of 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione (CID 19888489) is 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione.
What is the SMILES notation for 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione?
The canonical SMILES for 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione is O=C1CCN2CCNC2C1=O.
What is the InChIKey of 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione?
The InChIKey is IBKIXODAJMBRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-5-1-3-9-4-2-8-7(9)6(5)11/h7-8H,1-4H2.
What are the key properties of 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione?
1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione has a molecular weight of 154.17 g/mol, XLogP of -1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyridine-7,8-dione is sourced from PubChem (CID 19888489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).