3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one

C8H9N3O — CID 163274537

IUPAC3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one
SMILESCC1(N)C(=O)Nc2cnccc21
InChIInChI=1S/C8H9N3O/c1-8(9)5-2-3-10-4-6(5)11-7(8)12/h2-4H,9H2,1H3,(H,11,12)
InChIKeyVNDBOZFWDKVJJT-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.21
Rot. Bonds

About 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one

3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one (PubChem CID 163274537) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one
PubChem CID163274537
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one
SMILESCC1(N)C(=O)Nc2cnccc21
InChIInChI=1S/C8H9N3O/c1-8(9)5-2-3-10-4-6(5)11-7(8)12/h2-4H,9H2,1H3,(H,11,12)
InChIKeyVNDBOZFWDKVJJT-UHFFFAOYSA-N
XLogP0.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one (CID 163274537) is 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one is CC1(N)C(=O)Nc2cnccc21.
What is the InChIKey of 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one?
The InChIKey is VNDBOZFWDKVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-8(9)5-2-3-10-4-6(5)11-7(8)12/h2-4H,9H2,1H3,(H,11,12).
What are the key properties of 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one?
3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 163274537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).