1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one

C15H14N2O2 — CID 58577743

IUPAC1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccc(O)cc2)c2ncccc21
InChIInChI=1S/C15H14N2O2/c1-15(2)12-4-3-9-16-13(12)17(14(15)19)10-5-7-11(18)8-6-10/h3-9,18H,1-2H3
InChIKeyXTFQMNWHUYCHQK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.74
Rot. Bonds1

About 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one

1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 58577743) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID58577743
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccc(O)cc2)c2ncccc21
InChIInChI=1S/C15H14N2O2/c1-15(2)12-4-3-9-16-13(12)17(14(15)19)10-5-7-11(18)8-6-10/h3-9,18H,1-2H3
InChIKeyXTFQMNWHUYCHQK-UHFFFAOYSA-N
XLogP2.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (CID 58577743) is 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is CC1(C)C(=O)N(c2ccc(O)cc2)c2ncccc21.
What is the InChIKey of 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is XTFQMNWHUYCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-15(2)12-4-3-9-16-13(12)17(14(15)19)10-5-7-11(18)8-6-10/h3-9,18H,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 58577743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).