5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C8H9N3O — CID 45115960

IUPAC5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCc1c[nH]c2c(=O)[nH]c(N)cc12
InChIInChI=1S/C8H9N3O/c1-4-3-10-7-5(4)2-6(9)11-8(7)12/h2-3,10H,1H3,(H3,9,11,12)
InChIKeyJQNCDJZGVXNPGQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.75
Rot. Bonds

About 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 45115960) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID45115960
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCc1c[nH]c2c(=O)[nH]c(N)cc12
InChIInChI=1S/C8H9N3O/c1-4-3-10-7-5(4)2-6(9)11-8(7)12/h2-3,10H,1H3,(H3,9,11,12)
InChIKeyJQNCDJZGVXNPGQ-UHFFFAOYSA-N
XLogP0.75
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 45115960) is 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is Cc1c[nH]c2c(=O)[nH]c(N)cc12.
What is the InChIKey of 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is JQNCDJZGVXNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-4-3-10-7-5(4)2-6(9)11-8(7)12/h2-3,10H,1H3,(H3,9,11,12).
What are the key properties of 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 163.18 g/mol, XLogP of 0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 45115960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).