3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

C9H10N2O — CID 14739553

IUPAC3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)Nc2ncccc21
InChIInChI=1S/C9H10N2O/c1-9(2)6-4-3-5-10-7(6)11-8(9)12/h3-5H,1-2H3,(H,10,11,12)
InChIKeyCLQOBOAKNXTWQK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.31
Rot. Bonds

About 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739553) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID14739553
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)Nc2ncccc21
InChIInChI=1S/C9H10N2O/c1-9(2)6-4-3-5-10-7(6)11-8(9)12/h3-5H,1-2H3,(H,10,11,12)
InChIKeyCLQOBOAKNXTWQK-UHFFFAOYSA-N
XLogP1.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (CID 14739553) is 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is CC1(C)C(=O)Nc2ncccc21.
What is the InChIKey of 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is CLQOBOAKNXTWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-9(2)6-4-3-5-10-7(6)11-8(9)12/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).