1-aminopyrrolo[3,4-c]pyridin-3-one

C7H5N3O — CID 13346795

IUPAC1-aminopyrrolo[3,4-c]pyridin-3-one
SMILESNC1=NC(=O)c2cnccc21
InChIInChI=1S/C7H5N3O/c8-6-4-1-2-9-3-5(4)7(11)10-6/h1-3H,(H2,8,10,11)
InChIKeyQMEDJFKNIRUVSD-UHFFFAOYSA-N
MW147.14 g/mol
LogP-0.06
Rot. Bonds

About 1-aminopyrrolo[3,4-c]pyridin-3-one

1-aminopyrrolo[3,4-c]pyridin-3-one (PubChem CID 13346795) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 1-aminopyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-aminopyrrolo[3,4-c]pyridin-3-one
PubChem CID13346795
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name1-aminopyrrolo[3,4-c]pyridin-3-one
SMILESNC1=NC(=O)c2cnccc21
InChIInChI=1S/C7H5N3O/c8-6-4-1-2-9-3-5(4)7(11)10-6/h1-3H,(H2,8,10,11)
InChIKeyQMEDJFKNIRUVSD-UHFFFAOYSA-N
XLogP-0.06
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-aminopyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-aminopyrrolo[3,4-c]pyridin-3-one (CID 13346795) is 1-aminopyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-aminopyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-aminopyrrolo[3,4-c]pyridin-3-one is NC1=NC(=O)c2cnccc21.
What is the InChIKey of 1-aminopyrrolo[3,4-c]pyridin-3-one?
The InChIKey is QMEDJFKNIRUVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c8-6-4-1-2-9-3-5(4)7(11)10-6/h1-3H,(H2,8,10,11).
What are the key properties of 1-aminopyrrolo[3,4-c]pyridin-3-one?
1-aminopyrrolo[3,4-c]pyridin-3-one has a molecular weight of 147.14 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 13346795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).