3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione

C7H8N2O2 — CID 592380

IUPAC3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione
SMILESO=C1CCC2CC(=O)NC2=N1
InChIInChI=1S/C7H8N2O2/c10-5-2-1-4-3-6(11)9-7(4)8-5/h4H,1-3H2,(H,8,9,10,11)
InChIKeyNHCMPTCDWCOELA-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.16
Rot. Bonds

About 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione

3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione (PubChem CID 592380) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione.

Molecular Properties

Compound Name3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione
PubChem CID592380
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione
SMILESO=C1CCC2CC(=O)NC2=N1
InChIInChI=1S/C7H8N2O2/c10-5-2-1-4-3-6(11)9-7(4)8-5/h4H,1-3H2,(H,8,9,10,11)
InChIKeyNHCMPTCDWCOELA-UHFFFAOYSA-N
XLogP-0.16
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylimino-3-propylpyrrolidin-2-one
CID 137167702
1,3,3a,4,5,6-Hexahydropyrrolo[2,3-b]pyridin-2-one
CID 172711595

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione?
The IUPAC name of 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione (CID 592380) is 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione.
What is the SMILES notation for 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione?
The canonical SMILES for 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione is O=C1CCC2CC(=O)NC2=N1.
What is the InChIKey of 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione?
The InChIKey is NHCMPTCDWCOELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-5-2-1-4-3-6(11)9-7(4)8-5/h4H,1-3H2,(H,8,9,10,11).
What are the key properties of 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione?
3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione has a molecular weight of 152.15 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5-tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione is sourced from PubChem (CID 592380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).