2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium

C9H15N2+ — CID 57177363

IUPAC2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
SMILESCC=CC1=[N+](C=CC)CCN1
InChIInChI=1S/C9H14N2/c1-3-5-9-10-6-8-11(9)7-4-2/h3-5,7H,6,8H2,1-2H3/p+1
InChIKeyYUHIYBRFZDAAOO-UHFFFAOYSA-O
MW151.23 g/mol
LogP1.11
Rot. Bonds2

About 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium

2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium (PubChem CID 57177363) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium.

Molecular Properties

Compound Name2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
PubChem CID57177363
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
SMILESCC=CC1=[N+](C=CC)CCN1
InChIInChI=1S/C9H14N2/c1-3-5-9-10-6-8-11(9)7-4-2/h3-5,7H,6,8H2,1-2H3/p+1
InChIKeyYUHIYBRFZDAAOO-UHFFFAOYSA-O
XLogP1.11
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.11
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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Related Compounds

2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 15778570
2-ethenyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 20189699
2-prop-1-enyl-4,5-dihydro-1H-imidazole
CID 53814883
N-[2-(2-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176356
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
1,2-Dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium
CID 67764290
1-Ethenyl-2-prop-1-enyl-4,5-dihydroimidazole
CID 67789097
1-(2,3-dihydroimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 70331238
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
(Z)-3-amino-N'-[2-(dimethylamino)ethyl]-N-ethenylbut-2-enimidamide
CID 89881702

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium?
The IUPAC name of 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium (CID 57177363) is 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium.
What is the SMILES notation for 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium?
The canonical SMILES for 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium is CC=CC1=[N+](C=CC)CCN1.
What is the InChIKey of 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium?
The InChIKey is YUHIYBRFZDAAOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2/c1-3-5-9-10-6-8-11(9)7-4-2/h3-5,7H,6,8H2,1-2H3/p+1.
What are the key properties of 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium?
2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium has a molecular weight of 151.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium is sourced from PubChem (CID 57177363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).