5-hexyl-2H-pyrrole

C10H17N — CID 67711414

IUPAC5-hexyl-2H-pyrrole
SMILESCCCCCCC1=NCC=C1
InChIInChI=1S/C10H17N/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8H,2-5,7,9H2,1H3
InChIKeyGTDKXJFCCTUDFM-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds5

About 5-hexyl-2H-pyrrole

5-hexyl-2H-pyrrole (PubChem CID 67711414) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-hexyl-2H-pyrrole.

Molecular Properties

Compound Name5-hexyl-2H-pyrrole
PubChem CID67711414
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-hexyl-2H-pyrrole
SMILESCCCCCCC1=NCC=C1
InChIInChI=1S/C10H17N/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8H,2-5,7,9H2,1H3
InChIKeyGTDKXJFCCTUDFM-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
Koreenceine A
CID 146683591
5-(6-fluorohexyl)-2H-pyrrole
CID 54509639
2-butyl-5-hepta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 600717
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(2R)-7-butyl-2-methyl-2H-azepine
CID 134989384
[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium
CID 166446028
Pyrroline, 5-butyl-2-[1,3-heptadienyl]-
CID 5374506
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 102308509

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2H-pyrrole?
The IUPAC name of 5-hexyl-2H-pyrrole (CID 67711414) is 5-hexyl-2H-pyrrole.
What is the SMILES notation for 5-hexyl-2H-pyrrole?
The canonical SMILES for 5-hexyl-2H-pyrrole is CCCCCCC1=NCC=C1.
What is the InChIKey of 5-hexyl-2H-pyrrole?
The InChIKey is GTDKXJFCCTUDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8H,2-5,7,9H2,1H3.
What are the key properties of 5-hexyl-2H-pyrrole?
5-hexyl-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2H-pyrrole is sourced from PubChem (CID 67711414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).