tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate

C15H20N2O3 — CID 153408805

IUPACtert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCc1nc(C=O)c2c(c1C)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H20N2O3/c1-9-10(2)16-13(8-18)12-7-17(6-11(9)12)14(19)20-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyLERFZPCUZALESM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.76
Rot. Bonds1

About tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate

tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate (PubChem CID 153408805) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
PubChem CID153408805
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCc1nc(C=O)c2c(c1C)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H20N2O3/c1-9-10(2)16-13(8-18)12-7-17(6-11(9)12)14(19)20-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyLERFZPCUZALESM-UHFFFAOYSA-N
XLogP2.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-formyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 83866825
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 3-formyl-2-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-6-carboxylate
CID 82666899
3-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid
CID 133058260
tert-butyl 3,5-dioxo-4,4-bis(prop-2-enyl)piperidine-1-carboxylate
CID 171548647
tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;propane
CID 166476563
tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
CID 170354095
tert-butyl 3-iodo-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 155595256
tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate
CID 178110183
tert-butyl 3-[2-(2-formyl-3,5-dimethylimidazol-4-yl)-2-oxoethyl]azetidine-1-carboxylate
CID 163713387
tert-butyl (4Z)-4-(2-oxoethylidene)azepane-1-carboxylate
CID 87589381

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate (CID 153408805) is tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate is Cc1nc(C=O)c2c(c1C)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
The InChIKey is LERFZPCUZALESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-10(2)16-13(8-18)12-7-17(6-11(9)12)14(19)20-15(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate?
tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 153408805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).