tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate

C11H18ClNO2 — CID 150319571

IUPACtert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C=CCl
InChIInChI=1S/C11H18ClNO2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyGNIKGMVIPDLVPS-UHFFFAOYSA-N
MW231.72 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate (PubChem CID 150319571) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
PubChem CID150319571
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Nametert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C=CCl
InChIInChI=1S/C11H18ClNO2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyGNIKGMVIPDLVPS-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S)-2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162399038
tert-butyl (2S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 11118647
tert-butyl 2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 56993490
tert-butyl 2-[(Z)-2-sulfamoylethenyl]pyrrolidine-1-carboxylate
CID 175162311
tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate
CID 175741866
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405
tert-butyl 2-[(E)-4-aminobut-1-enyl]pyrrolidine-1-carboxylate
CID 126844522
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
(Z)-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 118937301
tert-butyl 2-[2-(3-chlorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 76800293
tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate
CID 45276350
tert-butyl 2-(2-formylpyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 18699591

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate (CID 150319571) is tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C=CCl.
What is the InChIKey of tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate?
The InChIKey is GNIKGMVIPDLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate has a molecular weight of 231.72 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 150319571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).