2-(5-hexylthiophen-2-yl)-1H-pyrrole

C14H19NS — CID 129149292

IUPAC2-(5-hexylthiophen-2-yl)-1H-pyrrole
SMILESCCCCCCc1ccc(-c2ccc[nH]2)s1
InChIInChI=1S/C14H19NS/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13/h6,8-11,15H,2-5,7H2,1H3
InChIKeyNHOLJVBVRPZUHZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.87
Rot. Bonds6

About 2-(5-hexylthiophen-2-yl)-1H-pyrrole

2-(5-hexylthiophen-2-yl)-1H-pyrrole (PubChem CID 129149292) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(5-hexylthiophen-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(5-hexylthiophen-2-yl)-1H-pyrrole
PubChem CID129149292
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name2-(5-hexylthiophen-2-yl)-1H-pyrrole
SMILESCCCCCCc1ccc(-c2ccc[nH]2)s1
InChIInChI=1S/C14H19NS/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13/h6,8-11,15H,2-5,7H2,1H3
InChIKeyNHOLJVBVRPZUHZ-UHFFFAOYSA-N
XLogP4.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
ethane;2-(5-fluorofuran-3-yl)-1H-pyrrole;2-(5-hexylthiophen-2-yl)-1H-pyrrole;2-(5-methylthiophen-2-yl)-1H-pyrrole;2-(5-pentylthiophen-2-yl)-1H-pyrrole;2-thiophen-2-yl-1H-pyrrole
CID 159046440
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
2,5-diheptylthiophene
CID 607114
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
3,4-bis(5-dodecylthiophen-2-yl)furan-2,5-dione
CID 122398344
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-hexyl-5-[5-[5-[13-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pentacen-6-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 101482940

Frequently Asked Questions

What is the IUPAC name of 2-(5-hexylthiophen-2-yl)-1H-pyrrole?
The IUPAC name of 2-(5-hexylthiophen-2-yl)-1H-pyrrole (CID 129149292) is 2-(5-hexylthiophen-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(5-hexylthiophen-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(5-hexylthiophen-2-yl)-1H-pyrrole is CCCCCCc1ccc(-c2ccc[nH]2)s1.
What is the InChIKey of 2-(5-hexylthiophen-2-yl)-1H-pyrrole?
The InChIKey is NHOLJVBVRPZUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13/h6,8-11,15H,2-5,7H2,1H3.
What are the key properties of 2-(5-hexylthiophen-2-yl)-1H-pyrrole?
2-(5-hexylthiophen-2-yl)-1H-pyrrole has a molecular weight of 233.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hexylthiophen-2-yl)-1H-pyrrole is sourced from PubChem (CID 129149292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).