5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C22H28N4O2 — CID 162245364

IUPAC5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)(C)c1cc2c(cn1)CNC2=O.CC(C)(C)c1cc2c(cn1)NC(=O)C2
InChIInChI=1S/2C11H14N2O/c1-11(2,3)9-4-8-7(5-12-9)6-13-10(8)14;1-11(2,3)9-4-7-5-10(14)13-8(7)6-12-9/h4-5H,6H2,1-3H3,(H,13,14);4,6H,5H2,1-3H3,(H,13,14)
InChIKeyZXGMCFHQMMWKJD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.50
Rot. Bonds

About 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 162245364) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID162245364
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCC(C)(C)c1cc2c(cn1)CNC2=O.CC(C)(C)c1cc2c(cn1)NC(=O)C2
InChIInChI=1S/2C11H14N2O/c1-11(2,3)9-4-8-7(5-12-9)6-13-10(8)14;1-11(2,3)9-4-7-5-10(14)13-8(7)6-12-9/h4-5H,6H2,1-3H3,(H,13,14);4,6H,5H2,1-3H3,(H,13,14)
InChIKeyZXGMCFHQMMWKJD-UHFFFAOYSA-N
XLogP3.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

5-fluoro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 137347254
5-ethyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 130380646
6-tert-butyl-2,3-dihydro-1H-imidazo[4,5-c]pyridine
CID 138655061
5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 167438723
6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 175853784
6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 171097859
2-tert-butyl-6,11-dihydropyrido[4,3-b][1,5]benzodiazepin-5-one
CID 67995704
7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
CID 155612954
5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 18973044
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
6-amino-5-(4-tert-butylphenyl)-1,3-dihydroindol-2-one
CID 162059497
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 162245364) is 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CC(C)(C)c1cc2c(cn1)CNC2=O.CC(C)(C)c1cc2c(cn1)NC(=O)C2.
What is the InChIKey of 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZXGMCFHQMMWKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2O/c1-11(2,3)9-4-8-7(5-12-9)6-13-10(8)14;1-11(2,3)9-4-7-5-10(14)13-8(7)6-12-9/h4-5H,6H2,1-3H3,(H,13,14);4,6H,5H2,1-3H3,(H,13,14).
What are the key properties of 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 380.49 g/mol, XLogP of 3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;6-tert-butyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 162245364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).