1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride

C10H17ClN2 — CID 67644681

IUPAC1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride
SMILESC=CCC1=[N+](C)CCN1CC=C.[Cl-]
InChIInChI=1S/C10H17N2.ClH/c1-4-6-10-11(3)8-9-12(10)7-5-2;/h4-5H,1-2,6-9H2,3H3;1H/q+1;/p-1
InChIKeyGOIANKQSNYTOES-UHFFFAOYSA-M
MW200.71 g/mol
LogP-1.89
Rot. Bonds4

About 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride

1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride (PubChem CID 67644681) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride
PubChem CID67644681
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride
SMILESC=CCC1=[N+](C)CCN1CC=C.[Cl-]
InChIInChI=1S/C10H17N2.ClH/c1-4-6-10-11(3)8-9-12(10)7-5-2;/h4-5H,1-2,6-9H2,3H3;1H/q+1;/p-1
InChIKeyGOIANKQSNYTOES-UHFFFAOYSA-M
XLogP-1.89
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride?
The IUPAC name of 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride (CID 67644681) is 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride is C=CCC1=[N+](C)CCN1CC=C.[Cl-].
What is the InChIKey of 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride?
The InChIKey is GOIANKQSNYTOES-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17N2.ClH/c1-4-6-10-11(3)8-9-12(10)7-5-2;/h4-5H,1-2,6-9H2,3H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride?
1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride has a molecular weight of 200.71 g/mol, XLogP of -1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 67644681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).