3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one

C16H16N2O2 — CID 71489493

IUPAC3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one
SMILESCOc1ccc(C2(C)C(=O)N(C)c3cnccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-16(11-4-6-12(20-3)7-5-11)13-8-9-17-10-14(13)18(2)15(16)19/h4-10H,1-3H3
InChIKeyMAJHZXODHLYSPV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.37
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one

3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one (PubChem CID 71489493) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one
PubChem CID71489493
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one
SMILESCOc1ccc(C2(C)C(=O)N(C)c3cnccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-16(11-4-6-12(20-3)7-5-11)13-8-9-17-10-14(13)18(2)15(16)19/h4-10H,1-3H3
InChIKeyMAJHZXODHLYSPV-UHFFFAOYSA-N
XLogP2.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one (CID 71489493) is 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one is COc1ccc(C2(C)C(=O)N(C)c3cnccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one?
The InChIKey is MAJHZXODHLYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(11-4-6-12(20-3)7-5-11)13-8-9-17-10-14(13)18(2)15(16)19/h4-10H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one?
3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 71489493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).