2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine

C13H23NO — CID 166086097

IUPAC2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine
SMILESC=C=C(OC(C)(C)C)N1CCCC1CC
InChIInChI=1S/C13H23NO/c1-6-11-9-8-10-14(11)12(7-2)15-13(3,4)5/h11H,2,6,8-10H2,1,3-5H3
InChIKeyUDQWDEVIQPCNNA-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.30
Rot. Bonds3

About 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine

2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine (PubChem CID 166086097) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine
PubChem CID166086097
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine
SMILESC=C=C(OC(C)(C)C)N1CCCC1CC
InChIInChI=1S/C13H23NO/c1-6-11-9-8-10-14(11)12(7-2)15-13(3,4)5/h11H,2,6,8-10H2,1,3-5H3
InChIKeyUDQWDEVIQPCNNA-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate
CID 13113462
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine?
The IUPAC name of 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine (CID 166086097) is 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine?
The canonical SMILES for 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine is C=C=C(OC(C)(C)C)N1CCCC1CC.
What is the InChIKey of 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine?
The InChIKey is UDQWDEVIQPCNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-11-9-8-10-14(11)12(7-2)15-13(3,4)5/h11H,2,6,8-10H2,1,3-5H3.
What are the key properties of 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine?
2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine has a molecular weight of 209.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-[(2-methylpropan-2-yl)oxy]propa-1,2-dienyl]pyrrolidine is sourced from PubChem (CID 166086097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).