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

C15H24N2O — CID 20773195

IUPAC1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)(C)N1CCc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C15H24N2O/c1-14(2,3)16-9-7-11-8-10-17(15(4,5)6)13(18)12(11)16/h8,10H,7,9H2,1-6H3
InChIKeyDOKAINNSNNDYKC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.76
Rot. Bonds

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

1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 20773195) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID20773195
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)(C)N1CCc2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C15H24N2O/c1-14(2,3)16-9-7-11-8-10-17(15(4,5)6)13(18)12(11)16/h8,10H,7,9H2,1-6H3
InChIKeyDOKAINNSNNDYKC-UHFFFAOYSA-N
XLogP2.76
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.76
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
1,7-ditert-butyl-3,6-dihydro-2H-pyrrolo[2,3-c]azepin-8-one
CID 20773231
(12Z)-2-methyl-11-methylidene-7,8,9,10-tetrahydro-6H-pyrazino[1,2-a]azonin-1-one
CID 117810110
2-Tert-butyl-9-methylpyrido[1,2-a]pyrazine-1,6-dione
CID 139494682
Ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416260
N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide
CID 170184149
Ethane;4-ethenyl-1-methyl-5-(methylamino)-2,3-dihydropyridin-6-one
CID 171650083
Ethane;[(4-ethenyl-1-methyl-6-oxo-2,3-dihydropyridin-5-yl)-methylamino] thiohypoiodite
CID 171650128
1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 174246681
1-[4-(4-Methylcyclopenta-1,3-dien-1-yl)-3-methylidenepiperazin-1-yl]prop-2-en-1-one
CID 176558003
1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one
CID 176916657
3-Amino-1-isopropyl-5,6-dihydro-1H-indol-2(4H)-one
CID 13469996

Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one (CID 20773195) is 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one is CC(C)(C)N1CCc2ccn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is DOKAINNSNNDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2,3)16-9-7-11-8-10-17(15(4,5)6)13(18)12(11)16/h8,10H,7,9H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one?
1,6-ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 248.37 g/mol, XLogP of 2.76, 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-2,3-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 20773195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).