1-methyl-3-nitrosoimidazolidine

C4H9N3O — CID 14906185

IUPAC1-methyl-3-nitrosoimidazolidine
SMILESCN1CCN(N=O)C1
InChIInChI=1S/C4H9N3O/c1-6-2-3-7(4-6)5-8/h2-4H2,1H3
InChIKeyLDFMAYFPOPDGCR-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.13
Rot. Bonds1

About 1-methyl-3-nitrosoimidazolidine

1-methyl-3-nitrosoimidazolidine (PubChem CID 14906185) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 1-methyl-3-nitrosoimidazolidine.

Molecular Properties

Compound Name1-methyl-3-nitrosoimidazolidine
PubChem CID14906185
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name1-methyl-3-nitrosoimidazolidine
SMILESCN1CCN(N=O)C1
InChIInChI=1S/C4H9N3O/c1-6-2-3-7(4-6)5-8/h2-4H2,1H3
InChIKeyLDFMAYFPOPDGCR-UHFFFAOYSA-N
XLogP-0.13
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nitrosoimidazolidine?
The IUPAC name of 1-methyl-3-nitrosoimidazolidine (CID 14906185) is 1-methyl-3-nitrosoimidazolidine.
What is the SMILES notation for 1-methyl-3-nitrosoimidazolidine?
The canonical SMILES for 1-methyl-3-nitrosoimidazolidine is CN1CCN(N=O)C1.
What is the InChIKey of 1-methyl-3-nitrosoimidazolidine?
The InChIKey is LDFMAYFPOPDGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-6-2-3-7(4-6)5-8/h2-4H2,1H3.
What are the key properties of 1-methyl-3-nitrosoimidazolidine?
1-methyl-3-nitrosoimidazolidine has a molecular weight of 115.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nitrosoimidazolidine is sourced from PubChem (CID 14906185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).