tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate

C15H25NO3 — CID 46176901

IUPACtert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
SMILESC=C[C@H]1C[C@H](CC(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C15H25NO3/c1-7-11-9-12(8-10(2)3)16(13(11)17)14(18)19-15(4,5)6/h7,10-12H,1,8-9H2,2-6H3/t11-,12-/m0/s1
InChIKeyIQUVHDYFULTPQN-RYUDHWBXSA-N
MW267.37 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate

tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 46176901) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
PubChem CID46176901
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
SMILESC=C[C@H]1C[C@H](CC(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C15H25NO3/c1-7-11-9-12(8-10(2)3)16(13(11)17)14(18)19-15(4,5)6/h7,10-12H,1,8-9H2,2-6H3/t11-,12-/m0/s1
InChIKeyIQUVHDYFULTPQN-RYUDHWBXSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate (CID 46176901) is tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate is C=C[C@H]1C[C@H](CC(C)C)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is IQUVHDYFULTPQN-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-11-9-12(8-10(2)3)16(13(11)17)14(18)19-15(4,5)6/h7,10-12H,1,8-9H2,2-6H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 46176901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).