6-pentylcyclopenta[c]pyrrole

C12H15N — CID 67725834

IUPAC6-pentylcyclopenta[c]pyrrole
SMILESCCCCCC1=CC=C2C=NC=C21
InChIInChI=1S/C12H15N/c1-2-3-4-5-10-6-7-11-8-13-9-12(10)11/h6-9H,2-5H2,1H3
InChIKeyWAQAYFCUGPTTCW-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.40
Rot. Bonds4

About 6-pentylcyclopenta[c]pyrrole

6-pentylcyclopenta[c]pyrrole (PubChem CID 67725834) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-pentylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name6-pentylcyclopenta[c]pyrrole
PubChem CID67725834
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-pentylcyclopenta[c]pyrrole
SMILESCCCCCC1=CC=C2C=NC=C21
InChIInChI=1S/C12H15N/c1-2-3-4-5-10-6-7-11-8-13-9-12(10)11/h6-9H,2-5H2,1H3
InChIKeyWAQAYFCUGPTTCW-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.40
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 6-pentylcyclopenta[c]pyrrole?
The IUPAC name of 6-pentylcyclopenta[c]pyrrole (CID 67725834) is 6-pentylcyclopenta[c]pyrrole.
What is the SMILES notation for 6-pentylcyclopenta[c]pyrrole?
The canonical SMILES for 6-pentylcyclopenta[c]pyrrole is CCCCCC1=CC=C2C=NC=C21.
What is the InChIKey of 6-pentylcyclopenta[c]pyrrole?
The InChIKey is WAQAYFCUGPTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-3-4-5-10-6-7-11-8-13-9-12(10)11/h6-9H,2-5H2,1H3.
What are the key properties of 6-pentylcyclopenta[c]pyrrole?
6-pentylcyclopenta[c]pyrrole has a molecular weight of 173.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylcyclopenta[c]pyrrole is sourced from PubChem (CID 67725834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).