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

C9H15N2+ — CID 11000365

IUPAC1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium
SMILESC=CCN1C=[N+](CC=C)CC1
InChIInChI=1S/C9H15N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3-4,9H,1-2,5-8H2/q+1
InChIKeyXFWRPGYAJXLHDO-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.71
Rot. Bonds4

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

1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium (PubChem CID 11000365) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium
PubChem CID11000365
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium
SMILESC=CCN1C=[N+](CC=C)CC1
InChIInChI=1S/C9H15N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3-4,9H,1-2,5-8H2/q+1
InChIKeyXFWRPGYAJXLHDO-UHFFFAOYSA-N
XLogP0.71
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.71
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 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium (CID 11000365) is 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium is C=CCN1C=[N+](CC=C)CC1.
What is the InChIKey of 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium?
The InChIKey is XFWRPGYAJXLHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3-4,9H,1-2,5-8H2/q+1.
What are the key properties of 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium?
1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium has a molecular weight of 151.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 11000365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).