tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate

C13H23NO3 — CID 146482404

IUPACtert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate
SMILESCOC/C(C)=C1\CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-10(9-16-5)11-7-6-8-14(11)12(15)17-13(2,3)4/h6-9H2,1-5H3/b11-10+
InChIKeyMFXXMOVCKZPRIH-ZHACJKMWSA-N
MW241.33 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate

tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate (PubChem CID 146482404) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate
PubChem CID146482404
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate
SMILESCOC/C(C)=C1\CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-10(9-16-5)11-7-6-8-14(11)12(15)17-13(2,3)4/h6-9H2,1-5H3/b11-10+
InChIKeyMFXXMOVCKZPRIH-ZHACJKMWSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate (CID 146482404) is tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate is COC/C(C)=C1\CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate?
The InChIKey is MFXXMOVCKZPRIH-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(9-16-5)11-7-6-8-14(11)12(15)17-13(2,3)4/h6-9H2,1-5H3/b11-10+.
What are the key properties of tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate?
tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-2-(1-methoxypropan-2-ylidene)pyrrolidine-1-carboxylate is sourced from PubChem (CID 146482404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).