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

C16H16N2O2 — CID 14739548

IUPAC1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1
InChIInChI=1S/C16H16N2O2/c1-16(2)13-5-4-10-17-14(13)18(15(16)19)11-6-8-12(20-3)9-7-11/h4-10H,1-3H3
InChIKeyXEJFNDVEZOMSQU-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.05
Rot. Bonds2

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

1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739548) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739548
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1
InChIInChI=1S/C16H16N2O2/c1-16(2)13-5-4-10-17-14(13)18(15(16)19)11-6-8-12(20-3)9-7-11/h4-10H,1-3H3
InChIKeyXEJFNDVEZOMSQU-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one (CID 14739548) is 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is COc1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is XEJFNDVEZOMSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2)13-5-4-10-17-14(13)18(15(16)19)11-6-8-12(20-3)9-7-11/h4-10H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one?
1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 268.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).