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

C9H17N2+ — CID 69185533

IUPAC1,1-bis(prop-2-enyl)imidazolidin-1-ium
SMILESC=CC[N+]1(CC=C)CCNC1
InChIInChI=1S/C9H17N2/c1-3-6-11(7-4-2)8-5-10-9-11/h3-4,10H,1-2,5-9H2/q+1
InChIKeyMFKGOTRKDIIZAN-UHFFFAOYSA-N
MW153.25 g/mol
LogP0.74
Rot. Bonds4

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

1,1-bis(prop-2-enyl)imidazolidin-1-ium (PubChem CID 69185533) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)imidazolidin-1-ium.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)imidazolidin-1-ium
PubChem CID69185533
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name1,1-bis(prop-2-enyl)imidazolidin-1-ium
SMILESC=CC[N+]1(CC=C)CCNC1
InChIInChI=1S/C9H17N2/c1-3-6-11(7-4-2)8-5-10-9-11/h3-4,10H,1-2,5-9H2/q+1
InChIKeyMFKGOTRKDIIZAN-UHFFFAOYSA-N
XLogP0.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
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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Related Compounds

1-oxido-1-prop-2-enylimidazolidin-1-ium
CID 57452587
1-hydroxy-1-prop-2-enylpiperazin-1-ium
CID 173410643
2-(2-cyanopropan-2-yldiazenyl)-2-methyl-3-(1-prop-2-enylpiperazin-1-ium-1-yl)propanenitrile
CID 123912906
1-ethyl-1-prop-2-enylpiperidin-1-ium
CID 14615527
1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium
CID 5149923
1-ethenyl-1-methylimidazolidin-1-ium chloride
CID 67140985
CID 156717927
CID 156717927
1-prop-2-enyl-1-propylpiperidin-1-ium
CID 68590517
2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
CID 22564637
1-ethyl-4-ethylsulfonyl-1-prop-2-enylpiperazin-1-ium
CID 59362006
2,2-bis(prop-2-enyl)-3,4-dihydro-1H-isoquinolin-2-ium bromide
CID 15551879
1-[3-[3-[3-[2,3-bis[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-2-[2-hydroxy-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propoxy]propoxy]-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propan-2-ol
CID 121296308

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enyl)imidazolidin-1-ium?
The IUPAC name of 1,1-bis(prop-2-enyl)imidazolidin-1-ium (CID 69185533) is 1,1-bis(prop-2-enyl)imidazolidin-1-ium.
What is the SMILES notation for 1,1-bis(prop-2-enyl)imidazolidin-1-ium?
The canonical SMILES for 1,1-bis(prop-2-enyl)imidazolidin-1-ium is C=CC[N+]1(CC=C)CCNC1.
What is the InChIKey of 1,1-bis(prop-2-enyl)imidazolidin-1-ium?
The InChIKey is MFKGOTRKDIIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-3-6-11(7-4-2)8-5-10-9-11/h3-4,10H,1-2,5-9H2/q+1.
What are the key properties of 1,1-bis(prop-2-enyl)imidazolidin-1-ium?
1,1-bis(prop-2-enyl)imidazolidin-1-ium has a molecular weight of 153.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)imidazolidin-1-ium is sourced from PubChem (CID 69185533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).