2-butyl-5-ethenyl-3-methylimidazolidin-4-one

C10H18N2O — CID 56634733

IUPAC2-butyl-5-ethenyl-3-methylimidazolidin-4-one
SMILESC=CC1NC(CCCC)N(C)C1=O
InChIInChI=1S/C10H18N2O/c1-4-6-7-9-11-8(5-2)10(13)12(9)3/h5,8-9,11H,2,4,6-7H2,1,3H3
InChIKeyWLIVJWIHNQJDPJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.12
Rot. Bonds4

About 2-butyl-5-ethenyl-3-methylimidazolidin-4-one

2-butyl-5-ethenyl-3-methylimidazolidin-4-one (PubChem CID 56634733) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-butyl-5-ethenyl-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-butyl-5-ethenyl-3-methylimidazolidin-4-one
PubChem CID56634733
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-butyl-5-ethenyl-3-methylimidazolidin-4-one
SMILESC=CC1NC(CCCC)N(C)C1=O
InChIInChI=1S/C10H18N2O/c1-4-6-7-9-11-8(5-2)10(13)12(9)3/h5,8-9,11H,2,4,6-7H2,1,3H3
InChIKeyWLIVJWIHNQJDPJ-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 2-butyl-5-ethenyl-3-methylimidazolidin-4-one?
The IUPAC name of 2-butyl-5-ethenyl-3-methylimidazolidin-4-one (CID 56634733) is 2-butyl-5-ethenyl-3-methylimidazolidin-4-one.
What is the SMILES notation for 2-butyl-5-ethenyl-3-methylimidazolidin-4-one?
The canonical SMILES for 2-butyl-5-ethenyl-3-methylimidazolidin-4-one is C=CC1NC(CCCC)N(C)C1=O.
What is the InChIKey of 2-butyl-5-ethenyl-3-methylimidazolidin-4-one?
The InChIKey is WLIVJWIHNQJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-7-9-11-8(5-2)10(13)12(9)3/h5,8-9,11H,2,4,6-7H2,1,3H3.
What are the key properties of 2-butyl-5-ethenyl-3-methylimidazolidin-4-one?
2-butyl-5-ethenyl-3-methylimidazolidin-4-one has a molecular weight of 182.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-ethenyl-3-methylimidazolidin-4-one is sourced from PubChem (CID 56634733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).