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

C9H15N3O — CID 66671150

IUPAC1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one
SMILESC=CN1C=NCC1.O=C1CCCN1
InChIInChI=1S/C5H8N2.C4H7NO/c1-2-7-4-3-6-5-7;6-4-2-1-3-5-4/h2,5H,1,3-4H2;1-3H2,(H,5,6)
InChIKeyBETNCHRJDCOZFK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.37
Rot. Bonds1

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

1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one (PubChem CID 66671150) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one
PubChem CID66671150
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one
SMILESC=CN1C=NCC1.O=C1CCCN1
InChIInChI=1S/C5H8N2.C4H7NO/c1-2-7-4-3-6-5-7;6-4-2-1-3-5-4/h2,5H,1,3-4H2;1-3H2,(H,5,6)
InChIKeyBETNCHRJDCOZFK-UHFFFAOYSA-N
XLogP0.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one?
The IUPAC name of 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one (CID 66671150) is 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one is C=CN1C=NCC1.O=C1CCCN1.
What is the InChIKey of 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one?
The InChIKey is BETNCHRJDCOZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H7NO/c1-2-7-4-3-6-5-7;6-4-2-1-3-5-4/h2,5H,1,3-4H2;1-3H2,(H,5,6).
What are the key properties of 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one?
1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4,5-dihydroimidazole;pyrrolidin-2-one is sourced from PubChem (CID 66671150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).