3-(2-but-3-enoxyethyl)-1H-imidazol-2-one

C9H14N2O2 — CID 106410002

IUPAC3-(2-but-3-enoxyethyl)-1H-imidazol-2-one
SMILESC=CCCOCCn1cc[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-7-13-8-6-11-5-4-10-9(11)12/h2,4-5H,1,3,6-8H2,(H,10,12)
InChIKeyJZNIXLBGUQJEOK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.77
Rot. Bonds6

About 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one

3-(2-but-3-enoxyethyl)-1H-imidazol-2-one (PubChem CID 106410002) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-but-3-enoxyethyl)-1H-imidazol-2-one
PubChem CID106410002
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(2-but-3-enoxyethyl)-1H-imidazol-2-one
SMILESC=CCCOCCn1cc[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-7-13-8-6-11-5-4-10-9(11)12/h2,4-5H,1,3,6-8H2,(H,10,12)
InChIKeyJZNIXLBGUQJEOK-UHFFFAOYSA-N
XLogP0.77
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one (CID 106410002) is 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one is C=CCCOCCn1cc[nH]c1=O.
What is the InChIKey of 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one?
The InChIKey is JZNIXLBGUQJEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-7-13-8-6-11-5-4-10-9(11)12/h2,4-5H,1,3,6-8H2,(H,10,12).
What are the key properties of 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one?
3-(2-but-3-enoxyethyl)-1H-imidazol-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethyl)-1H-imidazol-2-one is sourced from PubChem (CID 106410002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).