6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one

C10H13N3O — CID 90047522

IUPAC6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(N)nc21
InChIInChI=1S/C10H13N3O/c1-10(2)6-4-5-7(11)12-8(6)13(3)9(10)14/h4-5H,1-3H3,(H2,11,12)
InChIKeyNIBQNENYYNXNEA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.92
Rot. Bonds

About 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one

6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 90047522) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID90047522
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(N)nc21
InChIInChI=1S/C10H13N3O/c1-10(2)6-4-5-7(11)12-8(6)13(3)9(10)14/h4-5H,1-3H3,(H2,11,12)
InChIKeyNIBQNENYYNXNEA-UHFFFAOYSA-N
XLogP0.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one (CID 90047522) is 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one is CN1C(=O)C(C)(C)c2ccc(N)nc21.
What is the InChIKey of 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is NIBQNENYYNXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2)6-4-5-7(11)12-8(6)13(3)9(10)14/h4-5H,1-3H3,(H2,11,12).
What are the key properties of 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one?
6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 90047522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).