3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one

C15H22N2O2 — CID 175223096

IUPAC3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one
SMILESC=CC1CC(C=C)N(C)C1=O.C=CN1CCCC1=O
InChIInChI=1S/C9H13NO.C6H9NO/c1-4-7-6-8(5-2)10(3)9(7)11;1-2-7-5-3-4-6(7)8/h4-5,7-8H,1-2,6H2,3H3;2H,1,3-5H2
InChIKeyFZJKFEITSAWKHF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.96
Rot. Bonds3

About 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one

3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one (PubChem CID 175223096) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one
PubChem CID175223096
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one
SMILESC=CC1CC(C=C)N(C)C1=O.C=CN1CCCC1=O
InChIInChI=1S/C9H13NO.C6H9NO/c1-4-7-6-8(5-2)10(3)9(7)11;1-2-7-5-3-4-6(7)8/h4-5,7-8H,1-2,6H2,3H3;2H,1,3-5H2
InChIKeyFZJKFEITSAWKHF-UHFFFAOYSA-N
XLogP1.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one?
The IUPAC name of 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one (CID 175223096) is 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one?
The canonical SMILES for 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one is C=CC1CC(C=C)N(C)C1=O.C=CN1CCCC1=O.
What is the InChIKey of 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one?
The InChIKey is FZJKFEITSAWKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C6H9NO/c1-4-7-6-8(5-2)10(3)9(7)11;1-2-7-5-3-4-6(7)8/h4-5,7-8H,1-2,6H2,3H3;2H,1,3-5H2.
What are the key properties of 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one?
3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethenyl)-1-methylpyrrolidin-2-one;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 175223096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).