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

C10H18N2O3 — CID 80581499

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCOCCO)c1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-11-4-5-12(10(11)14)6-8-15-9-7-13/h4-5,13H,2-3,6-9H2,1H3
InChIKeyUTABFGOJFNPZOU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.07
Rot. Bonds7

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

1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one (PubChem CID 80581499) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one
PubChem CID80581499
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCOCCO)c1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-11-4-5-12(10(11)14)6-8-15-9-7-13/h4-5,13H,2-3,6-9H2,1H3
InChIKeyUTABFGOJFNPZOU-UHFFFAOYSA-N
XLogP0.07
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.07
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-propylimidazol-2-one?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one (CID 80581499) is 1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CCOCCO)c1=O.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one?
The InChIKey is UTABFGOJFNPZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-3-11-4-5-12(10(11)14)6-8-15-9-7-13/h4-5,13H,2-3,6-9H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one?
1-[2-(2-hydroxyethoxy)ethyl]-3-propylimidazol-2-one has a molecular weight of 214.26 g/mol, XLogP of 0.07, 7 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-propylimidazol-2-one is sourced from PubChem (CID 80581499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).