1,1-bis(prop-2-enyl)imidazol-1-ium

C9H13N2+ — CID 23154599

IUPAC1,1-bis(prop-2-enyl)imidazol-1-ium
SMILESC=CC[N+]1(CC=C)C=CN=C1
InChIInChI=1S/C9H13N2/c1-3-6-11(7-4-2)8-5-10-9-11/h3-5,8-9H,1-2,6-7H2/q+1
InChIKeyYREVMHIERPYPJZ-UHFFFAOYSA-N
MW149.22 g/mol
LogP1.69
Rot. Bonds4

About 1,1-bis(prop-2-enyl)imidazol-1-ium

1,1-bis(prop-2-enyl)imidazol-1-ium (PubChem CID 23154599) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)imidazol-1-ium.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)imidazol-1-ium
PubChem CID23154599
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name1,1-bis(prop-2-enyl)imidazol-1-ium
SMILESC=CC[N+]1(CC=C)C=CN=C1
InChIInChI=1S/C9H13N2/c1-3-6-11(7-4-2)8-5-10-9-11/h3-5,8-9H,1-2,6-7H2/q+1
InChIKeyYREVMHIERPYPJZ-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enyl)imidazol-1-ium?
The IUPAC name of 1,1-bis(prop-2-enyl)imidazol-1-ium (CID 23154599) is 1,1-bis(prop-2-enyl)imidazol-1-ium.
What is the SMILES notation for 1,1-bis(prop-2-enyl)imidazol-1-ium?
The canonical SMILES for 1,1-bis(prop-2-enyl)imidazol-1-ium is C=CC[N+]1(CC=C)C=CN=C1.
What is the InChIKey of 1,1-bis(prop-2-enyl)imidazol-1-ium?
The InChIKey is YREVMHIERPYPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2/c1-3-6-11(7-4-2)8-5-10-9-11/h3-5,8-9H,1-2,6-7H2/q+1.
What are the key properties of 1,1-bis(prop-2-enyl)imidazol-1-ium?
1,1-bis(prop-2-enyl)imidazol-1-ium has a molecular weight of 149.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)imidazol-1-ium is sourced from PubChem (CID 23154599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).