1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium

C17H19N2O+ — CID 71557197

IUPAC1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium
SMILESC=CC[n+]1ccn(C2CCc3cc4c(cc32)OCC4)c1
InChIInChI=1S/C17H19N2O/c1-2-6-18-7-8-19(12-18)16-4-3-13-10-14-5-9-20-17(14)11-15(13)16/h2,7-8,10-12,16H,1,3-6,9H2/q+1
InChIKeyJCEINHFUWAVWKQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.43
Rot. Bonds3

About 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium

1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium (PubChem CID 71557197) has the molecular formula C17H19N2O+ and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium.

Molecular Properties

Compound Name1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium
PubChem CID71557197
Molecular FormulaC17H19N2O+
Molecular Weight267.35 g/mol
Exact Mass267.15
IUPAC Name1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium
SMILESC=CC[n+]1ccn(C2CCc3cc4c(cc32)OCC4)c1
InChIInChI=1S/C17H19N2O/c1-2-6-18-7-8-19(12-18)16-4-3-13-10-14-5-9-20-17(14)11-15(13)16/h2,7-8,10-12,16H,1,3-6,9H2/q+1
InChIKeyJCEINHFUWAVWKQ-UHFFFAOYSA-N
XLogP2.43
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium 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

3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile
CID 134108803
1-benzyl-2-ethyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium bromide
CID 71557683
1-phenyl-2-[3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)benzimidazol-1-ium-1-yl]ethanone bromide
CID 71557845
1-(4-methoxyphenyl)-2-[2-methyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium-1-yl]ethanone
CID 71557362
1-(4-bromophenyl)-2-[3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)benzimidazol-1-ium-1-yl]ethanone
CID 71557854
(1S)-16,19-dimethoxy-5-oxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene
CID 71109798
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
CID 83376428
4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide
CID 19838455
5-ethenyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid
CID 154091931
6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
CID 19845341
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium?
The IUPAC name of 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium (CID 71557197) is 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium.
What is the SMILES notation for 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium?
The canonical SMILES for 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium is C=CC[n+]1ccn(C2CCc3cc4c(cc32)OCC4)c1.
What is the InChIKey of 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium?
The InChIKey is JCEINHFUWAVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O/c1-2-6-18-7-8-19(12-18)16-4-3-13-10-14-5-9-20-17(14)11-15(13)16/h2,7-8,10-12,16H,1,3-6,9H2/q+1.
What are the key properties of 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium?
1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium has a molecular weight of 267.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium is sourced from PubChem (CID 71557197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).