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

C15H13ClN2O — CID 14739535

IUPAC1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccccc2Cl)c2ncccc21
InChIInChI=1S/C15H13ClN2O/c1-15(2)10-6-5-9-17-13(10)18(14(15)19)12-8-4-3-7-11(12)16/h3-9H,1-2H3
InChIKeyJXHBTIPLDOLXBH-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.69
Rot. Bonds1

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

1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739535) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739535
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(C)C(=O)N(c2ccccc2Cl)c2ncccc21
InChIInChI=1S/C15H13ClN2O/c1-15(2)10-6-5-9-17-13(10)18(14(15)19)12-8-4-3-7-11(12)16/h3-9H,1-2H3
InChIKeyJXHBTIPLDOLXBH-UHFFFAOYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (CID 14739535) is 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is CC1(C)C(=O)N(c2ccccc2Cl)c2ncccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JXHBTIPLDOLXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-15(2)10-6-5-9-17-13(10)18(14(15)19)12-8-4-3-7-11(12)16/h3-9H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).