2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole

C24H41NS — CID 146309780

IUPAC2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole
SMILESCCCCCCCCC1C=CC(CCCCCCCC)N1c1cccs1
InChIInChI=1S/C24H41NS/c1-3-5-7-9-11-13-16-22-19-20-23(17-14-12-10-8-6-4-2)25(22)24-18-15-21-26-24/h15,18-23H,3-14,16-17H2,1-2H3
InChIKeyOFCYPDWEYNBORI-UHFFFAOYSA-N
MW375.67 g/mol
LogP8.36
Rot. Bonds15

About 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole

2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole (PubChem CID 146309780) has the molecular formula C24H41NS and a molecular weight of 375.67 g/mol. Its IUPAC name is 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole
PubChem CID146309780
Molecular FormulaC24H41NS
Molecular Weight375.67 g/mol
Exact Mass375.30
IUPAC Name2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole
SMILESCCCCCCCCC1C=CC(CCCCCCCC)N1c1cccs1
InChIInChI=1S/C24H41NS/c1-3-5-7-9-11-13-16-22-19-20-23(17-14-12-10-8-6-4-2)25(22)24-18-15-21-26-24/h15,18-23H,3-14,16-17H2,1-2H3
InChIKeyOFCYPDWEYNBORI-UHFFFAOYSA-N
XLogP8.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.67
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
CID 124582742
5-butyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 16660097
ethane;2-pentylthiophene
CID 143883800
methane;2-undecylthiophene
CID 175504380
8-thiophen-2-yl-8-azabicyclo[3.2.1]octane
CID 89065677
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
2-tetradecan-7-ylthiophene
CID 137450901
2-octoxythiophene
CID 66725658
2-hexoxythiophene
CID 14473225
(1R,2R,3R,4R)-4-chloro-2-hexyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol
CID 141316966
7-hexacosyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 175711728
2-heptadecan-5-ylthiophene
CID 19734009

Frequently Asked Questions

What is the IUPAC name of 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole?
The IUPAC name of 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole (CID 146309780) is 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole?
The canonical SMILES for 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole is CCCCCCCCC1C=CC(CCCCCCCC)N1c1cccs1.
What is the InChIKey of 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole?
The InChIKey is OFCYPDWEYNBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NS/c1-3-5-7-9-11-13-16-22-19-20-23(17-14-12-10-8-6-4-2)25(22)24-18-15-21-26-24/h15,18-23H,3-14,16-17H2,1-2H3.
What are the key properties of 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole?
2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole has a molecular weight of 375.67 g/mol, XLogP of 8.36, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 146309780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).