4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one

C11H16N4O2 — CID 102680221

IUPAC4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CC2CCCNC2C1
InChIInChI=1S/C11H16N4O2/c16-10(8-4-13-11(17)14-8)15-5-7-2-1-3-12-9(7)6-15/h4,7,9,12H,1-3,5-6H2,(H2,13,14,17)
InChIKeyXQIRSEDXIVAAEG-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.47
Rot. Bonds1

About 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one

4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 102680221) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID102680221
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CC2CCCNC2C1
InChIInChI=1S/C11H16N4O2/c16-10(8-4-13-11(17)14-8)15-5-7-2-1-3-12-9(7)6-15/h4,7,9,12H,1-3,5-6H2,(H2,13,14,17)
InChIKeyXQIRSEDXIVAAEG-UHFFFAOYSA-N
XLogP-0.47
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

2-Methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 68647133
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43594249
4-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1,3-dihydroimidazol-2-one
CID 43596063
4-(3-Pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 54885852
2-oxo-N-(2-piperidin-3-ylethyl)-1,3-dihydroimidazole-4-carboxamide
CID 55248995
N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 56702105
4-[3-(Methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 61204139
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61231699
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61232582
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
CID 61232669
4-(3-Amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
CID 61235899
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61237542

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one (CID 102680221) is 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CC2CCCNC2C1.
What is the InChIKey of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is XQIRSEDXIVAAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(8-4-13-11(17)14-8)15-5-7-2-1-3-12-9(7)6-15/h4,7,9,12H,1-3,5-6H2,(H2,13,14,17).
What are the key properties of 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one?
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 102680221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).