1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one

C10H18N2O3 — CID 103759687

IUPAC1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one
SMILESCOCC(O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H18N2O3/c1-8(2)12-5-4-11(10(12)14)6-9(13)7-15-3/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyXNHXLVSAIPBVEV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.24
Rot. Bonds5

About 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one

1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one (PubChem CID 103759687) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one
PubChem CID103759687
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one
SMILESCOCC(O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H18N2O3/c1-8(2)12-5-4-11(10(12)14)6-9(13)7-15-3/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyXNHXLVSAIPBVEV-UHFFFAOYSA-N
XLogP0.24
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one (CID 103759687) is 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one is COCC(O)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is XNHXLVSAIPBVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(2)12-5-4-11(10(12)14)6-9(13)7-15-3/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one?
1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 214.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 103759687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).