1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one

C9H16N2O3 — CID 116624618

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one
SMILESCOCCOCCn1ccn(C)c1=O
InChIInChI=1S/C9H16N2O3/c1-10-3-4-11(9(10)12)5-6-14-8-7-13-2/h3-4H,5-8H2,1-2H3
InChIKeyRZKAOURMJIEEQJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.15
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one

1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one (PubChem CID 116624618) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one
PubChem CID116624618
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one
SMILESCOCCOCCn1ccn(C)c1=O
InChIInChI=1S/C9H16N2O3/c1-10-3-4-11(9(10)12)5-6-14-8-7-13-2/h3-4H,5-8H2,1-2H3
InChIKeyRZKAOURMJIEEQJ-UHFFFAOYSA-N
XLogP-0.15
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one (CID 116624618) is 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one is COCCOCCn1ccn(C)c1=O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one?
The InChIKey is RZKAOURMJIEEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10-3-4-11(9(10)12)5-6-14-8-7-13-2/h3-4H,5-8H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one?
1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one has a molecular weight of 200.24 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 116624618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).