5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium

C20H24N+ — CID 10110164

IUPAC5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium
SMILESCCC1=[N+](C)C(C)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4,15H2,1-3H3/q+1
InChIKeySCIYBRNSSXZMKG-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.26
Rot. Bonds3

About 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium

5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium (PubChem CID 10110164) has the molecular formula C20H24N+ and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium.

Molecular Properties

Compound Name5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium
PubChem CID10110164
Molecular FormulaC20H24N+
Molecular Weight278.42 g/mol
Exact Mass278.19
IUPAC Name5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium
SMILESCCC1=[N+](C)C(C)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4,15H2,1-3H3/q+1
InChIKeySCIYBRNSSXZMKG-UHFFFAOYSA-N
XLogP4.26
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium?
The IUPAC name of 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium (CID 10110164) is 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium.
What is the SMILES notation for 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium?
The canonical SMILES for 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium is CCC1=[N+](C)C(C)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium?
The InChIKey is SCIYBRNSSXZMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4,15H2,1-3H3/q+1.
What are the key properties of 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium?
5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium has a molecular weight of 278.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium is sourced from PubChem (CID 10110164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).