3-pentyl-1H-pyrrole

C9H15N — CID 15599581

IUPAC3-pentyl-1H-pyrrole
SMILESCCCCCc1cc[nH]c1
InChIInChI=1S/C9H15N/c1-2-3-4-5-9-6-7-10-8-9/h6-8,10H,2-5H2,1H3
InChIKeyVLUDZDXZIJCOAL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.75
Rot. Bonds4

About 3-pentyl-1H-pyrrole

3-pentyl-1H-pyrrole (PubChem CID 15599581) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-pentyl-1H-pyrrole.

Molecular Properties

Compound Name3-pentyl-1H-pyrrole
PubChem CID15599581
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-pentyl-1H-pyrrole
SMILESCCCCCc1cc[nH]c1
InChIInChI=1S/C9H15N/c1-2-3-4-5-9-6-7-10-8-9/h6-8,10H,2-5H2,1H3
InChIKeyVLUDZDXZIJCOAL-UHFFFAOYSA-N
XLogP2.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.75
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-pentyl-1H-pyrrole?
The IUPAC name of 3-pentyl-1H-pyrrole (CID 15599581) is 3-pentyl-1H-pyrrole.
What is the SMILES notation for 3-pentyl-1H-pyrrole?
The canonical SMILES for 3-pentyl-1H-pyrrole is CCCCCc1cc[nH]c1.
What is the InChIKey of 3-pentyl-1H-pyrrole?
The InChIKey is VLUDZDXZIJCOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-5-9-6-7-10-8-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-pentyl-1H-pyrrole?
3-pentyl-1H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1H-pyrrole is sourced from PubChem (CID 15599581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).