tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate

C11H19NO3 — CID 72594606

IUPACtert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=CCO)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-12)5-7-13/h5,13H,4,6-8H2,1-3H3
InChIKeyQMCZPPCIJMJYRD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds1

About tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate

tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate (PubChem CID 72594606) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate
PubChem CID72594606
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=CCO)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-12)5-7-13/h5,13H,4,6-8H2,1-3H3
InChIKeyQMCZPPCIJMJYRD-UHFFFAOYSA-N
XLogP1.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylethyl 3,6-dihydro-4-(hydroxymethyl)-1(2H)-pyridinecarboxylate
CID 22594484
tert-Butyl 4-(2-hydroxyethylidene)piperidine-1-carboxylate
CID 22594495
tert-butyl (2S)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylate
CID 11075145
tert-butyl N-but-3-enyl-N-[(E)-4-hydroxybut-2-enyl]carbamate
CID 71489495
Tert-butyl 3-(1-fluoro-2-hydroxyethylidene)pyrrolidine-1-carboxylate
CID 165769335
CID 177792092
CID 177792092
Tert-butyl 2-(3-hydroxyprop-1-en-1-yl)pyrrolidine-1-carboxylate
CID 14660987
tert-Butyl 3-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 15136239
prop-2-enyl (3E)-3-ethylidene-1-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate
CID 18534727
Tert-butyl 3-(2-hydroxyethyl)-2,5-dihydropyrrole-1-carboxylate
CID 21994146
(1-Boc-1,2,5,6-tetrahydropyridin-3-YL)methanol
CID 22258851
Prop-2-enyl 3-ethylidene-1-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate
CID 53985575

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate (CID 72594606) is tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=CCO)C1.
What is the InChIKey of tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate?
The InChIKey is QMCZPPCIJMJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-12)5-7-13/h5,13H,4,6-8H2,1-3H3.
What are the key properties of tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxyethylidene)pyrrolidine-1-carboxylate is sourced from PubChem (CID 72594606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).