6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane

C9H16N2O2 — CID 145026637

IUPAC6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane
SMILESCC.O=C1NC(=O)N2CCCCC12
InChIInChI=1S/C7H10N2O2.C2H6/c10-6-5-3-1-2-4-9(5)7(11)8-6;1-2/h5H,1-4H2,(H,8,10,11);1-2H3
InChIKeyNHCPAQPVCKQXKM-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.12
Rot. Bonds

About 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane

6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane (PubChem CID 145026637) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane.

Molecular Properties

Compound Name6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane
PubChem CID145026637
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane
SMILESCC.O=C1NC(=O)N2CCCCC12
InChIInChI=1S/C7H10N2O2.C2H6/c10-6-5-3-1-2-4-9(5)7(11)8-6;1-2/h5H,1-4H2,(H,8,10,11);1-2H3
InChIKeyNHCPAQPVCKQXKM-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

Octahydroimidazolidino(1,5-a)pyridine-1,3-dione
CID 10654438
(8aS)-2-(2-piperidin-1-ylethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 44403182
1,3,6,7,8,8a-Hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 9989443
1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 4072727
(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 162987928
Cyclo(lysyl-prolyl)
CID 194922
Tetrahydropyrrolo(1,2-c)pyrimidine-1,3-dione
CID 61371349
5,5-Dimethyl-3-piperidin-1-ylmethyl-imidazolidine-2,4-dione
CID 694448
(3S,8aS)-3-propyl-octahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 46941921
(5S)-3-(2-oxo-2-piperidin-1-ylethyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 52453989
5-Methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 71895306
(8aR)-2-(3,3-dimethylbutan-2-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 102561157

Frequently Asked Questions

What is the IUPAC name of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane?
The IUPAC name of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane (CID 145026637) is 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane.
What is the SMILES notation for 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane?
The canonical SMILES for 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane is CC.O=C1NC(=O)N2CCCCC12.
What is the InChIKey of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane?
The InChIKey is NHCPAQPVCKQXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H6/c10-6-5-3-1-2-4-9(5)7(11)8-6;1-2/h5H,1-4H2,(H,8,10,11);1-2H3.
What are the key properties of 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane?
6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane has a molecular weight of 184.24 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;ethane is sourced from PubChem (CID 145026637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).