tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate

C15H25NO2 — CID 134963635

IUPACtert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=CCC1CC[C@@H](CC=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-8-12-10-11-13(9-7-2)16(12)14(17)18-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3/t12-,13?/m1/s1
InChIKeyBIXGIRJPKOCBCT-PZORYLMUSA-N
MW251.37 g/mol
LogP3.91
Rot. Bonds4

About tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate (PubChem CID 134963635) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate
PubChem CID134963635
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=CCC1CC[C@@H](CC=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-8-12-10-11-13(9-7-2)16(12)14(17)18-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3/t12-,13?/m1/s1
InChIKeyBIXGIRJPKOCBCT-PZORYLMUSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 3755290
2-Vinylpyrrolidine, N-BOC protected
CID 13905156
(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine
CID 11084803
tert-Butyl (2R)-2-ethenylpyrrolidine-1-carboxylate
CID 12185972
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
Tert-butyl 9-azabicyclo[4.2.1]non-3-ene-9-carboxylate
CID 73001265
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 2-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 10656811
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 11275862
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
tert-butyl (2S)-2-allylpyrrolidine-1-carboxylate
CID 15637736

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate (CID 134963635) is tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate is C=CCC1CC[C@@H](CC=C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
The InChIKey is BIXGIRJPKOCBCT-PZORYLMUSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-8-12-10-11-13(9-7-2)16(12)14(17)18-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3/t12-,13?/m1/s1.
What are the key properties of tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 134963635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).