3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one

C18H20N2O — CID 14739530

IUPAC3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)c1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1
InChIInChI=1S/C18H20N2O/c1-12(2)13-7-9-14(10-8-13)20-16-15(6-5-11-19-16)18(3,4)17(20)21/h5-12H,1-4H3
InChIKeyRQEKBEWNYDDHLJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.16
Rot. Bonds2

About 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one

3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739530) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one
PubChem CID14739530
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)c1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1
InChIInChI=1S/C18H20N2O/c1-12(2)13-7-9-14(10-8-13)20-16-15(6-5-11-19-16)18(3,4)17(20)21/h5-12H,1-4H3
InChIKeyRQEKBEWNYDDHLJ-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one (CID 14739530) is 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one is CC(C)c1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is RQEKBEWNYDDHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12(2)13-7-9-14(10-8-13)20-16-15(6-5-11-19-16)18(3,4)17(20)21/h5-12H,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one?
3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 280.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).