4,5-dimethylcyclopenta[b]pyrrole

C9H9N — CID 70346083

IUPAC4,5-dimethylcyclopenta[b]pyrrole
SMILESCC1=C(C)C2=CC=NC2=C1
InChIInChI=1S/C9H9N/c1-6-5-9-8(7(6)2)3-4-10-9/h3-5H,1-2H3
InChIKeyFKDXUNIRPCOSNH-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.23
Rot. Bonds

About 4,5-dimethylcyclopenta[b]pyrrole

4,5-dimethylcyclopenta[b]pyrrole (PubChem CID 70346083) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 4,5-dimethylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name4,5-dimethylcyclopenta[b]pyrrole
PubChem CID70346083
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name4,5-dimethylcyclopenta[b]pyrrole
SMILESCC1=C(C)C2=CC=NC2=C1
InChIInChI=1S/C9H9N/c1-6-5-9-8(7(6)2)3-4-10-9/h3-5H,1-2H3
InChIKeyFKDXUNIRPCOSNH-UHFFFAOYSA-N
XLogP2.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclopenta[b]pyrrole?
The IUPAC name of 4,5-dimethylcyclopenta[b]pyrrole (CID 70346083) is 4,5-dimethylcyclopenta[b]pyrrole.
What is the SMILES notation for 4,5-dimethylcyclopenta[b]pyrrole?
The canonical SMILES for 4,5-dimethylcyclopenta[b]pyrrole is CC1=C(C)C2=CC=NC2=C1.
What is the InChIKey of 4,5-dimethylcyclopenta[b]pyrrole?
The InChIKey is FKDXUNIRPCOSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-6-5-9-8(7(6)2)3-4-10-9/h3-5H,1-2H3.
What are the key properties of 4,5-dimethylcyclopenta[b]pyrrole?
4,5-dimethylcyclopenta[b]pyrrole has a molecular weight of 131.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclopenta[b]pyrrole is sourced from PubChem (CID 70346083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).