1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one

C9H16N2O3 — CID 103759684

IUPAC1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one
SMILESCCn1ccn(CC(O)COC)c1=O
InChIInChI=1S/C9H16N2O3/c1-3-10-4-5-11(9(10)13)6-8(12)7-14-2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyTXOSRDSFGOLNRQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.32
Rot. Bonds5

About 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one

1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one (PubChem CID 103759684) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one
PubChem CID103759684
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one
SMILESCCn1ccn(CC(O)COC)c1=O
InChIInChI=1S/C9H16N2O3/c1-3-10-4-5-11(9(10)13)6-8(12)7-14-2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyTXOSRDSFGOLNRQ-UHFFFAOYSA-N
XLogP-0.32
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one (CID 103759684) is 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one is CCn1ccn(CC(O)COC)c1=O.
What is the InChIKey of 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one?
The InChIKey is TXOSRDSFGOLNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-10-4-5-11(9(10)13)6-8(12)7-14-2/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one?
1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one has a molecular weight of 200.24 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one is sourced from PubChem (CID 103759684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).