1-tert-butyl-4-ethenylpyrrolidin-2-one

C10H17NO — CID 14921341

IUPAC1-tert-butyl-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C10H17NO/c1-5-8-6-9(12)11(7-8)10(2,3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyIBNUUEUWCDMJDF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds1

About 1-tert-butyl-4-ethenylpyrrolidin-2-one

1-tert-butyl-4-ethenylpyrrolidin-2-one (PubChem CID 14921341) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-tert-butyl-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-ethenylpyrrolidin-2-one
PubChem CID14921341
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-tert-butyl-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C10H17NO/c1-5-8-6-9(12)11(7-8)10(2,3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyIBNUUEUWCDMJDF-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-tert-butyl-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-ethenylpyrrolidin-2-one (CID 14921341) is 1-tert-butyl-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-ethenylpyrrolidin-2-one?
The InChIKey is IBNUUEUWCDMJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-8-6-9(12)11(7-8)10(2,3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 1-tert-butyl-4-ethenylpyrrolidin-2-one?
1-tert-butyl-4-ethenylpyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 14921341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).