1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one

C11H17N3O — CID 69307252

IUPAC1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one
SMILESC=CN1C=NCC1.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C5H8N2/c1-2-7-5-3-4-6(7)8;1-2-7-4-3-6-5-7/h2H,1,3-5H2;2,5H,1,3-4H2
InChIKeyIGKGTUPIRQTGOR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.23
Rot. Bonds2

About 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one

1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one (PubChem CID 69307252) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one
PubChem CID69307252
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one
SMILESC=CN1C=NCC1.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C5H8N2/c1-2-7-5-3-4-6(7)8;1-2-7-4-3-6-5-7/h2H,1,3-5H2;2,5H,1,3-4H2
InChIKeyIGKGTUPIRQTGOR-UHFFFAOYSA-N
XLogP1.23
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one?
The IUPAC name of 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one (CID 69307252) is 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one is C=CN1C=NCC1.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one?
The InChIKey is IGKGTUPIRQTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H8N2/c1-2-7-5-3-4-6(7)8;1-2-7-4-3-6-5-7/h2H,1,3-5H2;2,5H,1,3-4H2.
What are the key properties of 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one?
1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4,5-dihydroimidazole;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 69307252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).