3,4-diethylcyclopenta[c]pyrrole

C11H13N — CID 21095346

IUPAC3,4-diethylcyclopenta[c]pyrrole
SMILESCCC1=CC=C2C=NC(CC)=C21
InChIInChI=1S/C11H13N/c1-3-8-5-6-9-7-12-10(4-2)11(8)9/h5-7H,3-4H2,1-2H3
InChIKeyMQGUJWKUYIUVHP-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds2

About 3,4-diethylcyclopenta[c]pyrrole

3,4-diethylcyclopenta[c]pyrrole (PubChem CID 21095346) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3,4-diethylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name3,4-diethylcyclopenta[c]pyrrole
PubChem CID21095346
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3,4-diethylcyclopenta[c]pyrrole
SMILESCCC1=CC=C2C=NC(CC)=C21
InChIInChI=1S/C11H13N/c1-3-8-5-6-9-7-12-10(4-2)11(8)9/h5-7H,3-4H2,1-2H3
InChIKeyMQGUJWKUYIUVHP-UHFFFAOYSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylcyclopenta[c]pyrrole?
The IUPAC name of 3,4-diethylcyclopenta[c]pyrrole (CID 21095346) is 3,4-diethylcyclopenta[c]pyrrole.
What is the SMILES notation for 3,4-diethylcyclopenta[c]pyrrole?
The canonical SMILES for 3,4-diethylcyclopenta[c]pyrrole is CCC1=CC=C2C=NC(CC)=C21.
What is the InChIKey of 3,4-diethylcyclopenta[c]pyrrole?
The InChIKey is MQGUJWKUYIUVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-8-5-6-9-7-12-10(4-2)11(8)9/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,4-diethylcyclopenta[c]pyrrole?
3,4-diethylcyclopenta[c]pyrrole has a molecular weight of 159.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylcyclopenta[c]pyrrole is sourced from PubChem (CID 21095346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).