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

C8H14N2O3 — CID 80581391

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCOCCO)c1=O
InChIInChI=1S/C8H14N2O3/c1-9-2-3-10(8(9)12)4-6-13-7-5-11/h2-3,11H,4-7H2,1H3
InChIKeyGRWPWBHBTDOHHQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.80
Rot. Bonds5

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

1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one (PubChem CID 80581391) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one
PubChem CID80581391
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCOCCO)c1=O
InChIInChI=1S/C8H14N2O3/c1-9-2-3-10(8(9)12)4-6-13-7-5-11/h2-3,11H,4-7H2,1H3
InChIKeyGRWPWBHBTDOHHQ-UHFFFAOYSA-N
XLogP-0.80
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
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-hydroxyethoxy)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one (CID 80581391) is 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one is Cn1ccn(CCOCCO)c1=O.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one?
The InChIKey is GRWPWBHBTDOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-2-3-10(8(9)12)4-6-13-7-5-11/h2-3,11H,4-7H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one?
1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one has a molecular weight of 186.21 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80581391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).