1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium

C22H22N+ — CID 173306060

IUPAC1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium
SMILESCCc1[nH+]c(-c2ccccc2)c(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H21N/c1-2-20-18-14-9-15-19(18)21(16-10-5-3-6-11-16)22(23-20)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3/p+1
InChIKeyVWPNSKNMYXZNAF-UHFFFAOYSA-O
MW300.43 g/mol
LogP4.89
Rot. Bonds3

About 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium

1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium (PubChem CID 173306060) has the molecular formula C22H22N+ and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium.

Molecular Properties

Compound Name1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium
PubChem CID173306060
Molecular FormulaC22H22N+
Molecular Weight300.43 g/mol
Exact Mass300.17
IUPAC Name1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium
SMILESCCc1[nH+]c(-c2ccccc2)c(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H21N/c1-2-20-18-14-9-15-19(18)21(16-10-5-3-6-11-16)22(23-20)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3/p+1
InChIKeyVWPNSKNMYXZNAF-UHFFFAOYSA-O
XLogP4.89
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
The IUPAC name of 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium (CID 173306060) is 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium.
What is the SMILES notation for 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
The canonical SMILES for 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium is CCc1[nH+]c(-c2ccccc2)c(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
The InChIKey is VWPNSKNMYXZNAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21N/c1-2-20-18-14-9-15-19(18)21(16-10-5-3-6-11-16)22(23-20)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3/p+1.
What are the key properties of 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium?
1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium has a molecular weight of 300.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium is sourced from PubChem (CID 173306060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).