1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one

C15H24N2O — CID 20773167

IUPAC1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)C(=O)C2
InChIInChI=1S/C15H24N2O/c1-14(2,3)16-8-7-11-9-13(18)17(12(11)10-16)15(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeyMYHRIUYIXBMZGR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds

About 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one

1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one (PubChem CID 20773167) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one
PubChem CID20773167
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)C(=O)C2
InChIInChI=1S/C15H24N2O/c1-14(2,3)16-8-7-11-9-13(18)17(12(11)10-16)15(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeyMYHRIUYIXBMZGR-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-Ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
CID 20773195
N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide
CID 170184149
1,6-ditert-butyl-3H-pyrrolo[2,3-c]pyridine-2,7-dione
CID 20773196
1,7-ditert-butyl-6,8-dihydro-3H-pyrrolo[2,3-c]azepin-2-one
CID 20773232

Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one (CID 20773167) is 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one is CC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)C(=O)C2.
What is the InChIKey of 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one?
The InChIKey is MYHRIUYIXBMZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2,3)16-8-7-11-9-13(18)17(12(11)10-16)15(4,5)6/h7-8H,9-10H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one?
1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butyl-3,7-dihydropyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 20773167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).