3-ethyl-4-pentyl-1H-pyrrole

C11H19N — CID 14112658

IUPAC3-ethyl-4-pentyl-1H-pyrrole
SMILESCCCCCc1c[nH]cc1CC
InChIInChI=1S/C11H19N/c1-3-5-6-7-11-9-12-8-10(11)4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyAKZRXRPDFSIYCZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.31
Rot. Bonds5

About 3-ethyl-4-pentyl-1H-pyrrole

3-ethyl-4-pentyl-1H-pyrrole (PubChem CID 14112658) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-ethyl-4-pentyl-1H-pyrrole.

Molecular Properties

Compound Name3-ethyl-4-pentyl-1H-pyrrole
PubChem CID14112658
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-ethyl-4-pentyl-1H-pyrrole
SMILESCCCCCc1c[nH]cc1CC
InChIInChI=1S/C11H19N/c1-3-5-6-7-11-9-12-8-10(11)4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyAKZRXRPDFSIYCZ-UHFFFAOYSA-N
XLogP3.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 3-ethyl-4-pentyl-1H-pyrrole?
The IUPAC name of 3-ethyl-4-pentyl-1H-pyrrole (CID 14112658) is 3-ethyl-4-pentyl-1H-pyrrole.
What is the SMILES notation for 3-ethyl-4-pentyl-1H-pyrrole?
The canonical SMILES for 3-ethyl-4-pentyl-1H-pyrrole is CCCCCc1c[nH]cc1CC.
What is the InChIKey of 3-ethyl-4-pentyl-1H-pyrrole?
The InChIKey is AKZRXRPDFSIYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-5-6-7-11-9-12-8-10(11)4-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-4-pentyl-1H-pyrrole?
3-ethyl-4-pentyl-1H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-pentyl-1H-pyrrole is sourced from PubChem (CID 14112658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).