tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate

C12H21NO2 — CID 11275862

IUPACtert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
SMILESC=C(C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)10-7-6-8-13(10)11(14)15-12(3,4)5/h10H,1,6-8H2,2-5H3/t10-/m0/s1
InChIKeyWYGWDWVOEABTCU-JTQLQIEISA-N
MW211.30 g/mol
LogP2.96
Rot. Bonds1

About tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate

tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate (PubChem CID 11275862) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
PubChem CID11275862
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
SMILESC=C(C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)10-7-6-8-13(10)11(14)15-12(3,4)5/h10H,1,6-8H2,2-5H3/t10-/m0/s1
InChIKeyWYGWDWVOEABTCU-JTQLQIEISA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 3755290
2-Vinylpyrrolidine, N-BOC protected
CID 13905156
tert-Butyl 3-methylidenepyrrolidine-1-carboxylate
CID 15297967
(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine
CID 11084803
tert-Butyl (2R)-2-ethenylpyrrolidine-1-carboxylate
CID 12185972
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
tert-butyl (2S)-2-[(E)-2-bromo-2-fluoroethenyl]pyrrolidine-1-carboxylate
CID 177852395
(S)-t-butyl 2-(2,2-dibromovinyl)pyrrolidine-1-carboxylate
CID 14730281
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
tert-butyl (2S)-2-allylpyrrolidine-1-carboxylate
CID 15637736
3-Methylene-8-boc-8-azabicyclo[3.2.1]octane
CID 57535483
tert-butyl (5R)-2-ethenyl-5-methylpyrrolidine-1-carboxylate
CID 90048569

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate (CID 11275862) is tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate is C=C(C)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The InChIKey is WYGWDWVOEABTCU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)10-7-6-8-13(10)11(14)15-12(3,4)5/h10H,1,6-8H2,2-5H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 11275862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).