1-oxidoimidazolidin-1-ium-2-one

C3H6N2O2 — CID 87148839

IUPAC1-oxidoimidazolidin-1-ium-2-one
SMILESO=C1NCC[NH+]1[O-]
InChIInChI=1S/C3H6N2O2/c6-3-4-1-2-5(3)7/h5H,1-2H2,(H,4,6)
InChIKeySNXFWGZMDMBJSK-UHFFFAOYSA-N
MW102.09 g/mol
LogP-1.91
Rot. Bonds

About 1-oxidoimidazolidin-1-ium-2-one

1-oxidoimidazolidin-1-ium-2-one (PubChem CID 87148839) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 1-oxidoimidazolidin-1-ium-2-one.

Molecular Properties

Compound Name1-oxidoimidazolidin-1-ium-2-one
PubChem CID87148839
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name1-oxidoimidazolidin-1-ium-2-one
SMILESO=C1NCC[NH+]1[O-]
InChIInChI=1S/C3H6N2O2/c6-3-4-1-2-5(3)7/h5H,1-2H2,(H,4,6)
InChIKeySNXFWGZMDMBJSK-UHFFFAOYSA-N
XLogP-1.91
TPSA56.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Imidazolidinone
CID 8453
2-(2-Aminoethyl)-1,2,4-oxadiazolidine-3,5-dione
CID 3085372
(4,4,5,5-~2~H_4_)Imidazolidin-2-one
CID 45039203
Hydroxyimidazolidinone
CID 21703185
Urea Imidazolidone Co-crystal
CID 21999675
Imidazolidine hydroxamic
CID 129816375
4-Hydroxyaminoimidazolidin-2-one
CID 129785795
1-Hydroxy-4-hydroxylaminoimidazolidin-2-one
CID 129875243
1-Oxoimidazolidin-1-ium-2-one
CID 17874056
1-Methoxyimidazolidin-2-one
CID 18186072
Imidazolidin-2-one;hydrochloride
CID 18704729
1-Hydroxyimidazolidine;urea
CID 18946108

Frequently Asked Questions

What is the IUPAC name of 1-oxidoimidazolidin-1-ium-2-one?
The IUPAC name of 1-oxidoimidazolidin-1-ium-2-one (CID 87148839) is 1-oxidoimidazolidin-1-ium-2-one.
What is the SMILES notation for 1-oxidoimidazolidin-1-ium-2-one?
The canonical SMILES for 1-oxidoimidazolidin-1-ium-2-one is O=C1NCC[NH+]1[O-].
What is the InChIKey of 1-oxidoimidazolidin-1-ium-2-one?
The InChIKey is SNXFWGZMDMBJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c6-3-4-1-2-5(3)7/h5H,1-2H2,(H,4,6).
What are the key properties of 1-oxidoimidazolidin-1-ium-2-one?
1-oxidoimidazolidin-1-ium-2-one has a molecular weight of 102.09 g/mol, XLogP of -1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidoimidazolidin-1-ium-2-one is sourced from PubChem (CID 87148839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).