1-ethylideneimidazolidin-1-ium

C5H11N2+ — CID 174099686

IUPAC1-ethylideneimidazolidin-1-ium
SMILESCC=[N+]1CCNC1
InChIInChI=1S/C5H11N2/c1-2-7-4-3-6-5-7/h2,6H,3-5H2,1H3/q+1
InChIKeyYWZLYARFAVFXBS-UHFFFAOYSA-N
MW99.16 g/mol
LogP-0.35
Rot. Bonds

About 1-ethylideneimidazolidin-1-ium

1-ethylideneimidazolidin-1-ium (PubChem CID 174099686) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is 1-ethylideneimidazolidin-1-ium.

Molecular Properties

Compound Name1-ethylideneimidazolidin-1-ium
PubChem CID174099686
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name1-ethylideneimidazolidin-1-ium
SMILESCC=[N+]1CCNC1
InChIInChI=1S/C5H11N2/c1-2-7-4-3-6-5-7/h2,6H,3-5H2,1H3/q+1
InChIKeyYWZLYARFAVFXBS-UHFFFAOYSA-N
XLogP-0.35
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylideneimidazolidin-1-ium?
The IUPAC name of 1-ethylideneimidazolidin-1-ium (CID 174099686) is 1-ethylideneimidazolidin-1-ium.
What is the SMILES notation for 1-ethylideneimidazolidin-1-ium?
The canonical SMILES for 1-ethylideneimidazolidin-1-ium is CC=[N+]1CCNC1.
What is the InChIKey of 1-ethylideneimidazolidin-1-ium?
The InChIKey is YWZLYARFAVFXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2/c1-2-7-4-3-6-5-7/h2,6H,3-5H2,1H3/q+1.
What are the key properties of 1-ethylideneimidazolidin-1-ium?
1-ethylideneimidazolidin-1-ium has a molecular weight of 99.16 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylideneimidazolidin-1-ium is sourced from PubChem (CID 174099686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).