tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate

C15H22N2O2 — CID 147626568

IUPACtert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate
SMILESC=C(C)C1=NCC2=C1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H22N2O2/c1-10(2)13-12-6-7-17(9-11(12)8-16-13)14(18)19-15(3,4)5/h1,6-9H2,2-5H3
InChIKeyGEXBKTGQFBNFCT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.95
Rot. Bonds1

About tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate

tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate (PubChem CID 147626568) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate
PubChem CID147626568
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate
SMILESC=C(C)C1=NCC2=C1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H22N2O2/c1-10(2)13-12-6-7-17(9-11(12)8-16-13)14(18)19-15(3,4)5/h1,6-9H2,2-5H3
InChIKeyGEXBKTGQFBNFCT-UHFFFAOYSA-N
XLogP2.95
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate with MolForge

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Related Compounds

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tert-butyl 2-(2-methylprop-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
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tert-butyl 4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
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CID 88986772
CID 88986772
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate (CID 147626568) is tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate is C=C(C)C1=NCC2=C1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate?
The InChIKey is GEXBKTGQFBNFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)13-12-6-7-17(9-11(12)8-16-13)14(18)19-15(3,4)5/h1,6-9H2,2-5H3.
What are the key properties of tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate?
tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-prop-1-en-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 147626568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).