6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium

C20H20N+ — CID 4588350

IUPAC6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium
SMILESC=Cc1cc2ccccc2c2cc3c(cc12)C[N+](C)(C)C3
InChIInChI=1S/C20H20N/c1-4-14-9-15-7-5-6-8-18(15)20-11-17-13-21(2,3)12-16(17)10-19(14)20/h4-11H,1,12-13H2,2-3H3/q+1
InChIKeyORIVPKVXLDZCRQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.73
Rot. Bonds1

About 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium

6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium (PubChem CID 4588350) has the molecular formula C20H20N+ and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium.

Molecular Properties

Compound Name6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium
PubChem CID4588350
Molecular FormulaC20H20N+
Molecular Weight274.39 g/mol
Exact Mass274.16
IUPAC Name6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium
SMILESC=Cc1cc2ccccc2c2cc3c(cc12)C[N+](C)(C)C3
InChIInChI=1S/C20H20N/c1-4-14-9-15-7-5-6-8-18(15)20-11-17-13-21(2,3)12-16(17)10-19(14)20/h4-11H,1,12-13H2,2-3H3/q+1
InChIKeyORIVPKVXLDZCRQ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium?
The IUPAC name of 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium (CID 4588350) is 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium.
What is the SMILES notation for 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium?
The canonical SMILES for 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium is C=Cc1cc2ccccc2c2cc3c(cc12)C[N+](C)(C)C3.
What is the InChIKey of 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium?
The InChIKey is ORIVPKVXLDZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N/c1-4-14-9-15-7-5-6-8-18(15)20-11-17-13-21(2,3)12-16(17)10-19(14)20/h4-11H,1,12-13H2,2-3H3/q+1.
What are the key properties of 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium?
6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium has a molecular weight of 274.39 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-9,9-dimethyl-8,10-dihydronaphtho[1,2-f]isoindol-9-ium is sourced from PubChem (CID 4588350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).