3,4,5-trimethylcyclopenta[b]pyrrole

C10H11N — CID 21095850

IUPAC3,4,5-trimethylcyclopenta[b]pyrrole
SMILESCC1=C(C)C2=C(C)C=NC2=C1
InChIInChI=1S/C10H11N/c1-6-4-9-10(8(6)3)7(2)5-11-9/h4-5H,1-3H3
InChIKeyVHKIEPVBXZLRSB-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.62
Rot. Bonds

About 3,4,5-trimethylcyclopenta[b]pyrrole

3,4,5-trimethylcyclopenta[b]pyrrole (PubChem CID 21095850) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3,4,5-trimethylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3,4,5-trimethylcyclopenta[b]pyrrole
PubChem CID21095850
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3,4,5-trimethylcyclopenta[b]pyrrole
SMILESCC1=C(C)C2=C(C)C=NC2=C1
InChIInChI=1S/C10H11N/c1-6-4-9-10(8(6)3)7(2)5-11-9/h4-5H,1-3H3
InChIKeyVHKIEPVBXZLRSB-UHFFFAOYSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 3,4,5-trimethylcyclopenta[b]pyrrole?
The IUPAC name of 3,4,5-trimethylcyclopenta[b]pyrrole (CID 21095850) is 3,4,5-trimethylcyclopenta[b]pyrrole.
What is the SMILES notation for 3,4,5-trimethylcyclopenta[b]pyrrole?
The canonical SMILES for 3,4,5-trimethylcyclopenta[b]pyrrole is CC1=C(C)C2=C(C)C=NC2=C1.
What is the InChIKey of 3,4,5-trimethylcyclopenta[b]pyrrole?
The InChIKey is VHKIEPVBXZLRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-6-4-9-10(8(6)3)7(2)5-11-9/h4-5H,1-3H3.
What are the key properties of 3,4,5-trimethylcyclopenta[b]pyrrole?
3,4,5-trimethylcyclopenta[b]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylcyclopenta[b]pyrrole is sourced from PubChem (CID 21095850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).