tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one

C11H19NO3 — CID 159197862

IUPACtert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one
SMILESC=C[C@H]1CCNC1=O.CC(C)(C)OC=O
InChIInChI=1S/C6H9NO.C5H10O2/c1-2-5-3-4-7-6(5)8;1-5(2,3)7-4-6/h2,5H,1,3-4H2,(H,7,8);4H,1-3H3/t5-;/m0./s1
InChIKeyKOWXRJKEKGARQF-JEDNCBNOSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds2

About tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one

tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one (PubChem CID 159197862) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Nametert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one
PubChem CID159197862
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one
SMILESC=C[C@H]1CCNC1=O.CC(C)(C)OC=O
InChIInChI=1S/C6H9NO.C5H10O2/c1-2-5-3-4-7-6(5)8;1-5(2,3)7-4-6/h2,5H,1,3-4H2,(H,7,8);4H,1-3H3/t5-;/m0./s1
InChIKeyKOWXRJKEKGARQF-JEDNCBNOSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one?
The IUPAC name of tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one (CID 159197862) is tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one.
What is the SMILES notation for tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one?
The canonical SMILES for tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one is C=C[C@H]1CCNC1=O.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one?
The InChIKey is KOWXRJKEKGARQF-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9NO.C5H10O2/c1-2-5-3-4-7-6(5)8;1-5(2,3)7-4-6/h2,5H,1,3-4H2,(H,7,8);4H,1-3H3/t5-;/m0./s1.
What are the key properties of tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one?
tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one is sourced from PubChem (CID 159197862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).