1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one

C9H16N2O5 — CID 20823505

IUPAC1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
SMILESCOCN1C(=O)N(C(C)=O)C(OC)C1OC
InChIInChI=1S/C9H16N2O5/c1-6(12)11-8(16-4)7(15-3)10(5-14-2)9(11)13/h7-8H,5H2,1-4H3
InChIKeyBIVJMLDCHBOPMS-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.18
Rot. Bonds4

About 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one

1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one (PubChem CID 20823505) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
PubChem CID20823505
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
SMILESCOCN1C(=O)N(C(C)=O)C(OC)C1OC
InChIInChI=1S/C9H16N2O5/c1-6(12)11-8(16-4)7(15-3)10(5-14-2)9(11)13/h7-8H,5H2,1-4H3
InChIKeyBIVJMLDCHBOPMS-UHFFFAOYSA-N
XLogP-0.18
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?
The IUPAC name of 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one (CID 20823505) is 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one is COCN1C(=O)N(C(C)=O)C(OC)C1OC.
What is the InChIKey of 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?
The InChIKey is BIVJMLDCHBOPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-6(12)11-8(16-4)7(15-3)10(5-14-2)9(11)13/h7-8H,5H2,1-4H3.
What are the key properties of 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?
1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one has a molecular weight of 232.24 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 20823505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).