5-hexyl-3,4-dihydro-2H-pyrrole

C10H19N — CID 10241000

IUPAC5-hexyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCCC1=NCCC1
InChIInChI=1S/C10H19N/c1-2-3-4-5-7-10-8-6-9-11-10/h2-9H2,1H3
InChIKeyIRBCXYVCZZHONL-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.19
Rot. Bonds5

About 5-hexyl-3,4-dihydro-2H-pyrrole

5-hexyl-3,4-dihydro-2H-pyrrole (PubChem CID 10241000) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 5-hexyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-hexyl-3,4-dihydro-2H-pyrrole
PubChem CID10241000
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name5-hexyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCCC1=NCCC1
InChIInChI=1S/C10H19N/c1-2-3-4-5-7-10-8-6-9-11-10/h2-9H2,1H3
InChIKeyIRBCXYVCZZHONL-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-hexyl-3,4-dihydro-2H-pyrrole (CID 10241000) is 5-hexyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-hexyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-hexyl-3,4-dihydro-2H-pyrrole is CCCCCCC1=NCCC1.
What is the InChIKey of 5-hexyl-3,4-dihydro-2H-pyrrole?
The InChIKey is IRBCXYVCZZHONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-3-4-5-7-10-8-6-9-11-10/h2-9H2,1H3.
What are the key properties of 5-hexyl-3,4-dihydro-2H-pyrrole?
5-hexyl-3,4-dihydro-2H-pyrrole has a molecular weight of 153.27 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 10241000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).