5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide

C8H13N3O2 — CID 103195105

IUPAC5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
SMILESNC(=O)N1CCCC2C(=O)NCC21
InChIInChI=1S/C8H13N3O2/c9-8(13)11-3-1-2-5-6(11)4-10-7(5)12/h5-6H,1-4H2,(H2,9,13)(H,10,12)
InChIKeyYSOQUWAUBZBPAC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.72
Rot. Bonds

About 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide

5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide (PubChem CID 103195105) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
PubChem CID103195105
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
SMILESNC(=O)N1CCCC2C(=O)NCC21
InChIInChI=1S/C8H13N3O2/c9-8(13)11-3-1-2-5-6(11)4-10-7(5)12/h5-6H,1-4H2,(H2,9,13)(H,10,12)
InChIKeyYSOQUWAUBZBPAC-UHFFFAOYSA-N
XLogP-0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide with MolForge

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Related Compounds

7-Methyl-octahydropyrrolo(1,2-a)piperazin-6-one
CID 45099425
octahydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 83479078
(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 119031176
rac-(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 122163742
rac-(4aR,7aS)-octahydro-1H-pyrrolo(3,4-b)pyridin-5-one hydrochloride
CID 138040354
(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368409
(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 91654543
rac-(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one, cis
CID 92845012
cis-3a-Fluoro-5-isopropyl-N-methyl-4-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxamide
CID 97521723
1-(3-amino-1,1,1-trifluoropentan-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194767
1-(3-amino-1,1,1-trifluorobutan-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194878
1-(4-amino-1,1,1-trifluorobutan-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194950

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The IUPAC name of 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide (CID 103195105) is 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide.
What is the SMILES notation for 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The canonical SMILES for 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide is NC(=O)N1CCCC2C(=O)NCC21.
What is the InChIKey of 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The InChIKey is YSOQUWAUBZBPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-8(13)11-3-1-2-5-6(11)4-10-7(5)12/h5-6H,1-4H2,(H2,9,13)(H,10,12).
What are the key properties of 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide is sourced from PubChem (CID 103195105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).