3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one

C8H9N3O — CID 68532236

IUPAC3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
SMILESNCc1c[nH]c2cc(=O)[nH]cc12
InChIInChI=1S/C8H9N3O/c9-2-5-3-10-7-1-8(12)11-4-6(5)7/h1,3-4,10H,2,9H2,(H,11,12)
InChIKeyUJZPEZRQBXCLFS-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.31
Rot. Bonds1

About 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one

3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one (PubChem CID 68532236) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
PubChem CID68532236
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
SMILESNCc1c[nH]c2cc(=O)[nH]cc12
InChIInChI=1S/C8H9N3O/c9-2-5-3-10-7-1-8(12)11-4-6(5)7/h1,3-4,10H,2,9H2,(H,11,12)
InChIKeyUJZPEZRQBXCLFS-UHFFFAOYSA-N
XLogP0.31
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The IUPAC name of 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one (CID 68532236) is 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one.
What is the SMILES notation for 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The canonical SMILES for 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one is NCc1c[nH]c2cc(=O)[nH]cc12.
What is the InChIKey of 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The InChIKey is UJZPEZRQBXCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-2-5-3-10-7-1-8(12)11-4-6(5)7/h1,3-4,10H,2,9H2,(H,11,12).
What are the key properties of 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one has a molecular weight of 163.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one is sourced from PubChem (CID 68532236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).