1-methylimidazolidin-3-ium

C4H11N2+ — CID 18172752

IUPAC1-methylimidazolidin-3-ium
SMILESCN1CC[NH2+]C1
InChIInChI=1S/C4H10N2/c1-6-3-2-5-4-6/h5H,2-4H2,1H3/p+1
InChIKeyVGYLMOJQAHXYCK-UHFFFAOYSA-O
MW87.15 g/mol
LogP-1.55
Rot. Bonds

About 1-methylimidazolidin-3-ium

1-methylimidazolidin-3-ium (PubChem CID 18172752) has the molecular formula C4H11N2+ and a molecular weight of 87.15 g/mol. Its IUPAC name is 1-methylimidazolidin-3-ium.

Molecular Properties

Compound Name1-methylimidazolidin-3-ium
PubChem CID18172752
Molecular FormulaC4H11N2+
Molecular Weight87.15 g/mol
Exact Mass87.09
IUPAC Name1-methylimidazolidin-3-ium
SMILESCN1CC[NH2+]C1
InChIInChI=1S/C4H10N2/c1-6-3-2-5-4-6/h5H,2-4H2,1H3/p+1
InChIKeyVGYLMOJQAHXYCK-UHFFFAOYSA-O
XLogP-1.55
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazolidin-3-ium?
The IUPAC name of 1-methylimidazolidin-3-ium (CID 18172752) is 1-methylimidazolidin-3-ium.
What is the SMILES notation for 1-methylimidazolidin-3-ium?
The canonical SMILES for 1-methylimidazolidin-3-ium is CN1CC[NH2+]C1.
What is the InChIKey of 1-methylimidazolidin-3-ium?
The InChIKey is VGYLMOJQAHXYCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2/c1-6-3-2-5-4-6/h5H,2-4H2,1H3/p+1.
What are the key properties of 1-methylimidazolidin-3-ium?
1-methylimidazolidin-3-ium has a molecular weight of 87.15 g/mol, XLogP of -1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazolidin-3-ium is sourced from PubChem (CID 18172752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).