tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate

C12H20INO2 — CID 13113462

IUPACtert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=C(I)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20INO2/c1-9(13)8-10-6-5-7-14(10)11(15)16-12(2,3)4/h10H,1,5-8H2,2-4H3
InChIKeyFFCRKYJHDBTKFZ-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate (PubChem CID 13113462) has the molecular formula C12H20INO2 and a molecular weight of 337.20 g/mol. Its IUPAC name is tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate
PubChem CID13113462
Molecular FormulaC12H20INO2
Molecular Weight337.20 g/mol
Exact Mass337.05
IUPAC Nametert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=C(I)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20INO2/c1-9(13)8-10-6-5-7-14(10)11(15)16-12(2,3)4/h10H,1,5-8H2,2-4H3
InChIKeyFFCRKYJHDBTKFZ-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(2-cyclopropyl-2-oxoethyl)piperidine-1-carboxylate
CID 79536550
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl (2R)-2-(2-hydrazinyl-2-oxoethyl)piperidine-1-carboxylate
CID 126582665

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate (CID 13113462) is tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate is C=C(I)CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate?
The InChIKey is FFCRKYJHDBTKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20INO2/c1-9(13)8-10-6-5-7-14(10)11(15)16-12(2,3)4/h10H,1,5-8H2,2-4H3.
What are the key properties of tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate has a molecular weight of 337.20 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 13113462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).