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

C15H25NO2 — CID 25155771

IUPACtert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=CCC1(CC=C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-9-15(10-7-2)11-8-12-16(15)13(17)18-14(3,4)5/h6-7H,1-2,8-12H2,3-5H3
InChIKeyBUUPZTKUSPQBJE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.91
Rot. Bonds4

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

tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate (PubChem CID 25155771) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
PubChem CID25155771
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=CCC1(CC=C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-9-15(10-7-2)11-8-12-16(15)13(17)18-14(3,4)5/h6-7H,1-2,8-12H2,3-5H3
InChIKeyBUUPZTKUSPQBJE-UHFFFAOYSA-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

(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylate
CID 6950456
ditert-butyl 2-(hydroxymethyl)-2-prop-2-enylpiperazine-1,4-dicarboxylate
CID 118358736
tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 119030894
tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66688039
tert-butyl 2-formyl-2-(2-oxoethyl)pyrrolidine-1-carboxylate
CID 143508321
tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 155131478
tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86314284
tert-butyl 1-oxa-8-azaspiro[3.4]octane-8-carboxylate
CID 71669234
tert-butyl 2-ethyl-2-formylpyrrolidine-1-carboxylate
CID 130067790
tert-butyl (1S,5R)-1-prop-2-enyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 102599076
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate (CID 25155771) is tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate is C=CCC1(CC=C)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
The InChIKey is BUUPZTKUSPQBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-9-15(10-7-2)11-8-12-16(15)13(17)18-14(3,4)5/h6-7H,1-2,8-12H2,3-5H3.
What are the key properties of tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate?
tert-butyl 2,2-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 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 25155771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).