tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane

C19H30N2O2 — CID 142428449

IUPACtert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane
SMILESC=Cc1c2c(n(C)c1C=C)CN(C(=O)OC(C)(C)C)CC2.CC
InChIInChI=1S/C17H24N2O2.C2H6/c1-7-12-13-9-10-19(16(20)21-17(3,4)5)11-15(13)18(6)14(12)8-2;1-2/h7-8H,1-2,9-11H2,3-6H3;1-2H3
InChIKeyOBPQUOYNSARTAZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.63
Rot. Bonds2

About tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane

tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane (PubChem CID 142428449) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane
PubChem CID142428449
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane
SMILESC=Cc1c2c(n(C)c1C=C)CN(C(=O)OC(C)(C)C)CC2.CC
InChIInChI=1S/C17H24N2O2.C2H6/c1-7-12-13-9-10-19(16(20)21-17(3,4)5)11-15(13)18(6)14(12)8-2;1-2/h7-8H,1-2,9-11H2,3-6H3;1-2H3
InChIKeyOBPQUOYNSARTAZ-UHFFFAOYSA-N
XLogP4.63
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162757444
tert-butyl 5-ethenyl-4-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate;carbon dioxide;methane
CID 159527865
tert-butyl 3-formyl-2-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-6-carboxylate
CID 82666899
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 2-ethenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 169082423
tert-butyl 2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 11499967
tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
CID 162764911
tert-butyl 8-ethenyl-6-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 118681356
tert-butyl 6,8-dimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 168925701
tert-butyl 3-(2-hydroxypropylcarbamoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575775
tert-butyl 2-ethenyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 172595016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane?
The IUPAC name of tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane (CID 142428449) is tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane?
The canonical SMILES for tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane is C=Cc1c2c(n(C)c1C=C)CN(C(=O)OC(C)(C)C)CC2.CC.
What is the InChIKey of tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane?
The InChIKey is OBPQUOYNSARTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2H6/c1-7-12-13-9-10-19(16(20)21-17(3,4)5)11-15(13)18(6)14(12)8-2;1-2/h7-8H,1-2,9-11H2,3-6H3;1-2H3.
What are the key properties of tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane?
tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane has a molecular weight of 318.46 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-bis(ethenyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-6-carboxylate;ethane is sourced from PubChem (CID 142428449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).