1-acetyl-2-iminoimidazolidin-4-one

C5H7N3O2 — CID 138059545

IUPAC1-acetyl-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)CN1C(C)=O
InChIInChI=1S/C5H7N3O2/c1-3(9)8-2-4(10)7-5(8)6/h2H2,1H3,(H2,6,7,10)
InChIKeySQOUNUPLIMKUFB-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.10
Rot. Bonds

About 1-acetyl-2-iminoimidazolidin-4-one

1-acetyl-2-iminoimidazolidin-4-one (PubChem CID 138059545) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-acetyl-2-iminoimidazolidin-4-one.

Molecular Properties

Compound Name1-acetyl-2-iminoimidazolidin-4-one
PubChem CID138059545
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1-acetyl-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)CN1C(C)=O
InChIInChI=1S/C5H7N3O2/c1-3(9)8-2-4(10)7-5(8)6/h2H2,1H3,(H2,6,7,10)
InChIKeySQOUNUPLIMKUFB-UHFFFAOYSA-N
XLogP-1.10
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-iminoimidazolidin-4-one?
The IUPAC name of 1-acetyl-2-iminoimidazolidin-4-one (CID 138059545) is 1-acetyl-2-iminoimidazolidin-4-one.
What is the SMILES notation for 1-acetyl-2-iminoimidazolidin-4-one?
The canonical SMILES for 1-acetyl-2-iminoimidazolidin-4-one is [H]/N=C1\NC(=O)CN1C(C)=O.
What is the InChIKey of 1-acetyl-2-iminoimidazolidin-4-one?
The InChIKey is SQOUNUPLIMKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3(9)8-2-4(10)7-5(8)6/h2H2,1H3,(H2,6,7,10).
What are the key properties of 1-acetyl-2-iminoimidazolidin-4-one?
1-acetyl-2-iminoimidazolidin-4-one has a molecular weight of 141.13 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-iminoimidazolidin-4-one is sourced from PubChem (CID 138059545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).