3-pentylcyclopenta[b]pyrrole

C12H15N — CID 21095263

IUPAC3-pentylcyclopenta[b]pyrrole
SMILESCCCCCC1=C2C=CC=C2N=C1
InChIInChI=1S/C12H15N/c1-2-3-4-6-10-9-13-12-8-5-7-11(10)12/h5,7-9H,2-4,6H2,1H3
InChIKeyBULBPTXPWJIZKK-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.40
Rot. Bonds4

About 3-pentylcyclopenta[b]pyrrole

3-pentylcyclopenta[b]pyrrole (PubChem CID 21095263) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-pentylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-pentylcyclopenta[b]pyrrole
PubChem CID21095263
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-pentylcyclopenta[b]pyrrole
SMILESCCCCCC1=C2C=CC=C2N=C1
InChIInChI=1S/C12H15N/c1-2-3-4-6-10-9-13-12-8-5-7-11(10)12/h5,7-9H,2-4,6H2,1H3
InChIKeyBULBPTXPWJIZKK-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 3-pentylcyclopenta[b]pyrrole?
The IUPAC name of 3-pentylcyclopenta[b]pyrrole (CID 21095263) is 3-pentylcyclopenta[b]pyrrole.
What is the SMILES notation for 3-pentylcyclopenta[b]pyrrole?
The canonical SMILES for 3-pentylcyclopenta[b]pyrrole is CCCCCC1=C2C=CC=C2N=C1.
What is the InChIKey of 3-pentylcyclopenta[b]pyrrole?
The InChIKey is BULBPTXPWJIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-3-4-6-10-9-13-12-8-5-7-11(10)12/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 3-pentylcyclopenta[b]pyrrole?
3-pentylcyclopenta[b]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 3-pentylcyclopenta[b]pyrrole is sourced from PubChem (CID 21095263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).