1-(2-hydroxyethyl)-3-methylimidazol-2-one

C6H10N2O2 — CID 69453594

IUPAC1-(2-hydroxyethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCO)c1=O
InChIInChI=1S/C6H10N2O2/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3
InChIKeyNAQREACYTYFXMF-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.82
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methylimidazol-2-one

1-(2-hydroxyethyl)-3-methylimidazol-2-one (PubChem CID 69453594) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylimidazol-2-one
PubChem CID69453594
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-(2-hydroxyethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCO)c1=O
InChIInChI=1S/C6H10N2O2/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3
InChIKeyNAQREACYTYFXMF-UHFFFAOYSA-N
XLogP-0.82
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylimidazol-2-one (CID 69453594) is 1-(2-hydroxyethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylimidazol-2-one is Cn1ccn(CCO)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylimidazol-2-one?
The InChIKey is NAQREACYTYFXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methylimidazol-2-one?
1-(2-hydroxyethyl)-3-methylimidazol-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 69453594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).