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

C16H16N2O — CID 67993582

IUPAC3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one
SMILESCc1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1
InChIInChI=1S/C16H16N2O/c1-11-6-8-12(9-7-11)18-14-13(5-4-10-17-14)16(2,3)15(18)19/h4-10H,1-3H3
InChIKeyDBMRWLZQIFHGJZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.35
Rot. Bonds1

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

3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one (PubChem CID 67993582) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one
PubChem CID67993582
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one
SMILESCc1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1
InChIInChI=1S/C16H16N2O/c1-11-6-8-12(9-7-11)18-14-13(5-4-10-17-14)16(2,3)15(18)19/h4-10H,1-3H3
InChIKeyDBMRWLZQIFHGJZ-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10999049
N-[[2-[(diaminomethylideneamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473424
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
N-benzyl-2,2-dimethyl-N-(pyridin-2-yl)propanamide
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2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
1-(4-Ethylphenyl)-3-(4-(pyridin-2-yl)piperazin-1-yl)pyrrolidine-2,5-dione
CID 3699732
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylpyridin-2-yl)benzamide
CID 969698
3-(2-fluoroanilino)-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one
CID 5308743
1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-
CID 368650
1-Phenyl-N-2-pyridinylcyclopentanecarboxamide
CID 796266
3,6-Dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 10014479
6-Methyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 10398747

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one (CID 67993582) is 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one is Cc1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is DBMRWLZQIFHGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-6-8-12(9-7-11)18-14-13(5-4-10-17-14)16(2,3)15(18)19/h4-10H,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one?
3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.35, 1 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-methylphenyl)pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 67993582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).