5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid

C10H15N2O2+ — CID 122390303

IUPAC5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid
SMILESC=Cn1cc[n+](CCCCC(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-2-11-7-8-12(9-11)6-4-3-5-10(13)14/h2,7-9H,1,3-6H2/p+1
InChIKeyDJASGVQGDIBKSD-UHFFFAOYSA-O
MW195.24 g/mol
LogP1.13
Rot. Bonds6

About 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid

5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid (PubChem CID 122390303) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid
PubChem CID122390303
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid
SMILESC=Cn1cc[n+](CCCCC(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-2-11-7-8-12(9-11)6-4-3-5-10(13)14/h2,7-9H,1,3-6H2/p+1
InChIKeyDJASGVQGDIBKSD-UHFFFAOYSA-O
XLogP1.13
TPSA46.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-3-[5-(3-ethenylimidazol-1-ium-1-yl)pentyl]imidazol-3-ium dihexafluorophosphate
CID 170460034
1-ethenyl-3-undecylimidazol-3-ium
CID 90886858
1-ethenyl-3-pentylimidazol-3-ium chloride
CID 172560941
2-(3-ethenylimidazol-1-ium-1-yl)ethanol
CID 14366476
11-(3-phenylimidazol-1-ium-1-yl)undecanoic acid
CID 122675072
2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate
CID 141459448
1-ethenyl-3-prop-2-enylimidazol-3-ium iodide
CID 118952406
bis(trifluoromethylsulfonyl)azanide;1-ethenyl-3-heptadecylimidazol-3-ium
CID 156755275
4-(3-ethylimidazol-1-ium-1-yl)butanoic acid
CID 101204124
1-ethenyl-3-prop-2-enylimidazol-3-ium bromide
CID 87575978
1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate
CID 170460029
anilinomethanesulfonate;1-butyl-3-ethenylimidazol-1-ium
CID 160790324

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid?
The IUPAC name of 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid (CID 122390303) is 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid?
The canonical SMILES for 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid is C=Cn1cc[n+](CCCCC(=O)O)c1.
What is the InChIKey of 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid?
The InChIKey is DJASGVQGDIBKSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O2/c1-2-11-7-8-12(9-11)6-4-3-5-10(13)14/h2,7-9H,1,3-6H2/p+1.
What are the key properties of 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid?
5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid has a molecular weight of 195.24 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid is sourced from PubChem (CID 122390303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).