4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one

C11H20N2O — CID 102351243

IUPAC4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one
SMILESC/C=C(/C)C1CN(CC)C(=O)N1CC
InChIInChI=1S/C11H20N2O/c1-5-9(4)10-8-12(6-2)11(14)13(10)7-3/h5,10H,6-8H2,1-4H3/b9-5-
InChIKeyKNJPHZIMFMHXRT-UITAMQMPSA-N
MW196.29 g/mol
LogP2.10
Rot. Bonds3

About 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one

4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one (PubChem CID 102351243) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one
PubChem CID102351243
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one
SMILESC/C=C(/C)C1CN(CC)C(=O)N1CC
InChIInChI=1S/C11H20N2O/c1-5-9(4)10-8-12(6-2)11(14)13(10)7-3/h5,10H,6-8H2,1-4H3/b9-5-
InChIKeyKNJPHZIMFMHXRT-UITAMQMPSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one (CID 102351243) is 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one is C/C=C(/C)C1CN(CC)C(=O)N1CC.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one?
The InChIKey is KNJPHZIMFMHXRT-UITAMQMPSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(4)10-8-12(6-2)11(14)13(10)7-3/h5,10H,6-8H2,1-4H3/b9-5-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one?
4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one is sourced from PubChem (CID 102351243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).