4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one

C18H30N2O2 — CID 67831116

IUPAC4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one
SMILESC=CC1CCN(CC)C1=O.C=CN1CC(CCCC)CC1=O
InChIInChI=1S/C10H17NO.C8H13NO/c1-3-5-6-9-7-10(12)11(4-2)8-9;1-3-7-5-6-9(4-2)8(7)10/h4,9H,2-3,5-8H2,1H3;3,7H,1,4-6H2,2H3
InChIKeyVTOLUHSPCLBKSB-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.21
Rot. Bonds6

About 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one

4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one (PubChem CID 67831116) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one
PubChem CID67831116
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one
SMILESC=CC1CCN(CC)C1=O.C=CN1CC(CCCC)CC1=O
InChIInChI=1S/C10H17NO.C8H13NO/c1-3-5-6-9-7-10(12)11(4-2)8-9;1-3-7-5-6-9(4-2)8(7)10/h4,9H,2-3,5-8H2,1H3;3,7H,1,4-6H2,2H3
InChIKeyVTOLUHSPCLBKSB-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.21
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 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one (CID 67831116) is 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one is C=CC1CCN(CC)C1=O.C=CN1CC(CCCC)CC1=O.
What is the InChIKey of 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one?
The InChIKey is VTOLUHSPCLBKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C8H13NO/c1-3-5-6-9-7-10(12)11(4-2)8-9;1-3-7-5-6-9(4-2)8(7)10/h4,9H,2-3,5-8H2,1H3;3,7H,1,4-6H2,2H3.
What are the key properties of 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one?
4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one has a molecular weight of 306.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 67831116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).