3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one

C15H14N2O — CID 14739523

IUPAC3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C15H14N2O/c1-15(2)12-9-6-10-16-13(12)17(14(15)18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyMULKAMFNRPUCOY-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.04
Rot. Bonds1

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

3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739523) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739523
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C15H14N2O/c1-15(2)12-9-6-10-16-13(12)17(14(15)18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyMULKAMFNRPUCOY-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (CID 14739523) is 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is CC1(C)C(=O)N(c2ccccc2)c2ncccc21.
What is the InChIKey of 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is MULKAMFNRPUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-15(2)12-9-6-10-16-13(12)17(14(15)18)11-7-4-3-5-8-11/h3-10H,1-2H3.
What are the key properties of 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).