methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate

C12H20N2O2 — CID 162743562

IUPACmethyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate
SMILESC/C=C(\C=N\CC)N1CCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H20N2O2/c1-4-10(9-13-5-2)14-8-6-7-11(14)12(15)16-3/h4,9,11H,5-8H2,1-3H3/b10-4+,13-9+/t11-/m1/s1
InChIKeyICBTVIHVYJRTIO-ISSVFBGCSA-N
MW224.30 g/mol
LogP1.62
Rot. Bonds4

About methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate

methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate (PubChem CID 162743562) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate
PubChem CID162743562
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namemethyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate
SMILESC/C=C(\C=N\CC)N1CCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H20N2O2/c1-4-10(9-13-5-2)14-8-6-7-11(14)12(15)16-3/h4,9,11H,5-8H2,1-3H3/b10-4+,13-9+/t11-/m1/s1
InChIKeyICBTVIHVYJRTIO-ISSVFBGCSA-N
XLogP1.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
methyl 1-(4-ethoxybutanoyl)pyrrolidine-2-carboxylate
CID 112729164
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl (2S)-1-[(Z)-docos-13-enoyl]pyrrolidine-2-carboxylate
CID 70363053
methyl 1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylate
CID 65242396
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
(E)-4-(2-methoxycarbonylpyrrolidin-1-yl)-4-oxobut-2-enoic acid
CID 60953999
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2S)-1-[2-[[2-(decanoylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylate
CID 22294726

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate (CID 162743562) is methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate is C/C=C(\C=N\CC)N1CCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is ICBTVIHVYJRTIO-ISSVFBGCSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-10(9-13-5-2)14-8-6-7-11(14)12(15)16-3/h4,9,11H,5-8H2,1-3H3/b10-4+,13-9+/t11-/m1/s1.
What are the key properties of methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(E)-1-ethyliminobut-2-en-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 162743562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).