1-oxidoimidazolidin-1-ium-1-amine

C3H9N3O — CID 87731707

IUPAC1-oxidoimidazolidin-1-ium-1-amine
SMILESN[N+]1([O-])CCNC1
InChIInChI=1S/C3H9N3O/c4-6(7)2-1-5-3-6/h5H,1-4H2
InChIKeyYBGLDFCSEYEOOM-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.26
Rot. Bonds

About 1-oxidoimidazolidin-1-ium-1-amine

1-oxidoimidazolidin-1-ium-1-amine (PubChem CID 87731707) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 1-oxidoimidazolidin-1-ium-1-amine.

Molecular Properties

Compound Name1-oxidoimidazolidin-1-ium-1-amine
PubChem CID87731707
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name1-oxidoimidazolidin-1-ium-1-amine
SMILESN[N+]1([O-])CCNC1
InChIInChI=1S/C3H9N3O/c4-6(7)2-1-5-3-6/h5H,1-4H2
InChIKeyYBGLDFCSEYEOOM-UHFFFAOYSA-N
XLogP-1.26
TPSA61.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxidoimidazolidin-1-ium-1-amine?
The IUPAC name of 1-oxidoimidazolidin-1-ium-1-amine (CID 87731707) is 1-oxidoimidazolidin-1-ium-1-amine.
What is the SMILES notation for 1-oxidoimidazolidin-1-ium-1-amine?
The canonical SMILES for 1-oxidoimidazolidin-1-ium-1-amine is N[N+]1([O-])CCNC1.
What is the InChIKey of 1-oxidoimidazolidin-1-ium-1-amine?
The InChIKey is YBGLDFCSEYEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c4-6(7)2-1-5-3-6/h5H,1-4H2.
What are the key properties of 1-oxidoimidazolidin-1-ium-1-amine?
1-oxidoimidazolidin-1-ium-1-amine has a molecular weight of 103.12 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidoimidazolidin-1-ium-1-amine is sourced from PubChem (CID 87731707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).