tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

C15H22N2O4 — CID 171808264

IUPACtert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
SMILESCc1c(O)c2c(n(C)c1=O)CN(C(=O)OC(C)(C)C)C2C
InChIInChI=1S/C15H22N2O4/c1-8-12(18)11-9(2)17(14(20)21-15(3,4)5)7-10(11)16(6)13(8)19/h9,18H,7H2,1-6H3
InChIKeyLRBTVQIIDLQXRG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.21
Rot. Bonds

About tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate (PubChem CID 171808264) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
PubChem CID171808264
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
SMILESCc1c(O)c2c(n(C)c1=O)CN(C(=O)OC(C)(C)C)C2C
InChIInChI=1S/C15H22N2O4/c1-8-12(18)11-9(2)17(14(20)21-15(3,4)5)7-10(11)16(6)13(8)19/h9,18H,7H2,1-6H3
InChIKeyLRBTVQIIDLQXRG-UHFFFAOYSA-N
XLogP2.21
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl (5R)-3-chloro-1,4,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 171808359
tert-butyl 4-hydroxy-1,5-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 171808311
tert-butyl 2,5-dimethyl-3-oxopiperidine-1-carboxylate
CID 155819641
methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 83848841
tert-butyl (6S)-5,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154953281
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
CID 135392142
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421
tert-butyl (2S,5S)-5-bromo-2-methylpiperidine-1-carboxylate
CID 178196758
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
CID 130250817
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-5-carboxylate
CID 91666171
tert-butyl 3-methyl-6-oxo-1,4-oxazepane-4-carboxylate
CID 118230392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate (CID 171808264) is tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate is Cc1c(O)c2c(n(C)c1=O)CN(C(=O)OC(C)(C)C)C2C.
What is the InChIKey of tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The InChIKey is LRBTVQIIDLQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8-12(18)11-9(2)17(14(20)21-15(3,4)5)7-10(11)16(6)13(8)19/h9,18H,7H2,1-6H3.
What are the key properties of tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-1,3,5-trimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 171808264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).