1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one

C7H8N2O — CID 84648273

IUPAC1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one
SMILESO=c1ccc2c([nH]1)CCN2
InChIInChI=1S/C7H8N2O/c10-7-2-1-5-6(9-7)3-4-8-5/h1-2,8H,3-4H2,(H,9,10)
InChIKeyTVCJUONPUDYMCM-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.34
Rot. Bonds

About 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one

1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 84648273) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one
PubChem CID84648273
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one
SMILESO=c1ccc2c([nH]1)CCN2
InChIInChI=1S/C7H8N2O/c10-7-2-1-5-6(9-7)3-4-8-5/h1-2,8H,3-4H2,(H,9,10)
InChIKeyTVCJUONPUDYMCM-UHFFFAOYSA-N
XLogP0.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one (CID 84648273) is 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one is O=c1ccc2c([nH]1)CCN2.
What is the InChIKey of 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is TVCJUONPUDYMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-7-2-1-5-6(9-7)3-4-8-5/h1-2,8H,3-4H2,(H,9,10).
What are the key properties of 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one?
1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 136.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 84648273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).