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

C14H12N2O — CID 14739507

IUPAC3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C14H12N2O/c1-10-12-8-5-9-15-13(12)16(14(10)17)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyOABDCHCNWYVQIZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.86
Rot. Bonds1

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

3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739507) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID14739507
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C14H12N2O/c1-10-12-8-5-9-15-13(12)16(14(10)17)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyOABDCHCNWYVQIZ-UHFFFAOYSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one (CID 14739507) is 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one is CC1C(=O)N(c2ccccc2)c2ncccc21.
What is the InChIKey of 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is OABDCHCNWYVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-12-8-5-9-15-13(12)16(14(10)17)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one?
3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).