1-ethenyl-1-methylimidazolidin-1-ium chloride

C6H13ClN2 — CID 67140985

IUPAC1-ethenyl-1-methylimidazolidin-1-ium chloride
SMILESC=C[N+]1(C)CCNC1.[Cl-]
InChIInChI=1S/C6H13N2.ClH/c1-3-8(2)5-4-7-6-8;/h3,7H,1,4-6H2,2H3;1H/q+1;/p-1
InChIKeyBQDNFGYUUHPOEO-UHFFFAOYSA-M
MW148.64 g/mol
LogP-2.86
Rot. Bonds1

About 1-ethenyl-1-methylimidazolidin-1-ium chloride

1-ethenyl-1-methylimidazolidin-1-ium chloride (PubChem CID 67140985) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is 1-ethenyl-1-methylimidazolidin-1-ium chloride.

Molecular Properties

Compound Name1-ethenyl-1-methylimidazolidin-1-ium chloride
PubChem CID67140985
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name1-ethenyl-1-methylimidazolidin-1-ium chloride
SMILESC=C[N+]1(C)CCNC1.[Cl-]
InChIInChI=1S/C6H13N2.ClH/c1-3-8(2)5-4-7-6-8;/h3,7H,1,4-6H2,2H3;1H/q+1;/p-1
InChIKeyBQDNFGYUUHPOEO-UHFFFAOYSA-M
XLogP-2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 5-2.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenyl-1-methylimidazolidin-1-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-bis(prop-2-enyl)imidazolidin-1-ium
CID 69185533
1-oxido-1-prop-2-enylimidazolidin-1-ium
CID 57452587
1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride
CID 19009662
1-(1-methylpiperazin-1-ium-1-yl)ethyl prop-2-enoate
CID 23504395
(1-methylpiperazin-1-ium-1-yl)arsane
CID 173369166
1-hydroxy-1-methylpiperazin-1-ium
CID 89307990
azetidine;prop-1-ene
CID 168888111
1-methyl-1-oxidopiperazin-1-ium;dihydrate
CID 86734634
1-(4-fluorophenyl)-1-methylpiperazin-1-ium chloride
CID 69099342
1-oxidoimidazolidin-1-ium-1-amine
CID 87731707
1-hydroxy-1-prop-2-enylpiperazin-1-ium
CID 173410643
1-ethenyl-1-methylpiperidin-1-ium;trifluoromethanesulfonate
CID 159048944

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-methylimidazolidin-1-ium chloride?
The IUPAC name of 1-ethenyl-1-methylimidazolidin-1-ium chloride (CID 67140985) is 1-ethenyl-1-methylimidazolidin-1-ium chloride.
What is the SMILES notation for 1-ethenyl-1-methylimidazolidin-1-ium chloride?
The canonical SMILES for 1-ethenyl-1-methylimidazolidin-1-ium chloride is C=C[N+]1(C)CCNC1.[Cl-].
What is the InChIKey of 1-ethenyl-1-methylimidazolidin-1-ium chloride?
The InChIKey is BQDNFGYUUHPOEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13N2.ClH/c1-3-8(2)5-4-7-6-8;/h3,7H,1,4-6H2,2H3;1H/q+1;/p-1.
What are the key properties of 1-ethenyl-1-methylimidazolidin-1-ium chloride?
1-ethenyl-1-methylimidazolidin-1-ium chloride has a molecular weight of 148.64 g/mol, XLogP of -2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methylimidazolidin-1-ium chloride is sourced from PubChem (CID 67140985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).