4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one

C9H15N3O — CID 66584096

IUPAC4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one
SMILESC1=NCCN1.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C3H6N2/c1-2-7-5-3-4-6(7)8;1-2-5-3-4-1/h2H,1,3-5H2;3H,1-2H2,(H,4,5)
InChIKeyFGUYVKJJEQNPMA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.37
Rot. Bonds1

About 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one

4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one (PubChem CID 66584096) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one
PubChem CID66584096
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one
SMILESC1=NCCN1.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C3H6N2/c1-2-7-5-3-4-6(7)8;1-2-5-3-4-1/h2H,1,3-5H2;3H,1-2H2,(H,4,5)
InChIKeyFGUYVKJJEQNPMA-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 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
The IUPAC name of 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one (CID 66584096) is 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
The canonical SMILES for 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one is C1=NCCN1.C=CN1CCCC1=O.
What is the InChIKey of 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
The InChIKey is FGUYVKJJEQNPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H6N2/c1-2-7-5-3-4-6(7)8;1-2-5-3-4-1/h2H,1,3-5H2;3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-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 4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 66584096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).