3-propylcyclopenta[b]pyrrole

C10H11N — CID 21095465

IUPAC3-propylcyclopenta[b]pyrrole
SMILESCCCC1=C2C=CC=C2N=C1
InChIInChI=1S/C10H11N/c1-2-4-8-7-11-10-6-3-5-9(8)10/h3,5-7H,2,4H2,1H3
InChIKeyPUNHXAXHYCWYJO-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.62
Rot. Bonds2

About 3-propylcyclopenta[b]pyrrole

3-propylcyclopenta[b]pyrrole (PubChem CID 21095465) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-propylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-propylcyclopenta[b]pyrrole
PubChem CID21095465
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-propylcyclopenta[b]pyrrole
SMILESCCCC1=C2C=CC=C2N=C1
InChIInChI=1S/C10H11N/c1-2-4-8-7-11-10-6-3-5-9(8)10/h3,5-7H,2,4H2,1H3
InChIKeyPUNHXAXHYCWYJO-UHFFFAOYSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propylcyclopenta[b]pyrrole?
The IUPAC name of 3-propylcyclopenta[b]pyrrole (CID 21095465) is 3-propylcyclopenta[b]pyrrole.
What is the SMILES notation for 3-propylcyclopenta[b]pyrrole?
The canonical SMILES for 3-propylcyclopenta[b]pyrrole is CCCC1=C2C=CC=C2N=C1.
What is the InChIKey of 3-propylcyclopenta[b]pyrrole?
The InChIKey is PUNHXAXHYCWYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-4-8-7-11-10-6-3-5-9(8)10/h3,5-7H,2,4H2,1H3.
What are the key properties of 3-propylcyclopenta[b]pyrrole?
3-propylcyclopenta[b]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylcyclopenta[b]pyrrole is sourced from PubChem (CID 21095465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).