1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione

C15H22N2O2 — CID 20773196

IUPAC1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione
SMILESCC(C)(C)N1C(=O)Cc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C15H22N2O2/c1-14(2,3)16-8-7-10-9-11(18)17(15(4,5)6)12(10)13(16)19/h7-8H,9H2,1-6H3
InChIKeySJDXHZGOSPCGBE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds

About 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione

1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione (PubChem CID 20773196) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione.

Molecular Properties

Compound Name1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione
PubChem CID20773196
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione
SMILESCC(C)(C)N1C(=O)Cc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C15H22N2O2/c1-14(2,3)16-8-7-10-9-11(18)17(15(4,5)6)12(10)13(16)19/h7-8H,9H2,1-6H3
InChIKeySJDXHZGOSPCGBE-UHFFFAOYSA-N
XLogP2.29
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one
CID 20773087
1,6-Ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
CID 20773195
6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
CID 54344134
2-Tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione
CID 139494682
2-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-azepin-3-yl]-4,5-dihydroisoindole-1,3-dione
CID 164134390
1,6-Ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one
CID 20773167
1,7-Ditert-butyl-3,6-dihydropyrrolo[2,3-c]azepine-2,8-dione
CID 20773233
2-(4-ethyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 172336355

Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione?
The IUPAC name of 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione (CID 20773196) is 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione.
What is the SMILES notation for 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione?
The canonical SMILES for 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione is CC(C)(C)N1C(=O)Cc2ccn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione?
The InChIKey is SJDXHZGOSPCGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,3)16-8-7-10-9-11(18)17(15(4,5)6)12(10)13(16)19/h7-8H,9H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione?
1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione has a molecular weight of 262.35 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione is sourced from PubChem (CID 20773196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).