5,5-dimethyl-1H-cyclopenta[b]pyrrole

C9H11N — CID 90976913

IUPAC5,5-dimethyl-1H-cyclopenta[b]pyrrole
SMILESCC1(C)C=c2cc[nH]c2=C1
InChIInChI=1S/C9H11N/c1-9(2)5-7-3-4-10-8(7)6-9/h3-6,10H,1-2H3
InChIKeyJODLNZGOAVVASL-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.62
Rot. Bonds

About 5,5-dimethyl-1H-cyclopenta[b]pyrrole

5,5-dimethyl-1H-cyclopenta[b]pyrrole (PubChem CID 90976913) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 5,5-dimethyl-1H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name5,5-dimethyl-1H-cyclopenta[b]pyrrole
PubChem CID90976913
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name5,5-dimethyl-1H-cyclopenta[b]pyrrole
SMILESCC1(C)C=c2cc[nH]c2=C1
InChIInChI=1S/C9H11N/c1-9(2)5-7-3-4-10-8(7)6-9/h3-6,10H,1-2H3
InChIKeyJODLNZGOAVVASL-UHFFFAOYSA-N
XLogP0.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1H-cyclopenta[b]pyrrole?
The IUPAC name of 5,5-dimethyl-1H-cyclopenta[b]pyrrole (CID 90976913) is 5,5-dimethyl-1H-cyclopenta[b]pyrrole.
What is the SMILES notation for 5,5-dimethyl-1H-cyclopenta[b]pyrrole?
The canonical SMILES for 5,5-dimethyl-1H-cyclopenta[b]pyrrole is CC1(C)C=c2cc[nH]c2=C1.
What is the InChIKey of 5,5-dimethyl-1H-cyclopenta[b]pyrrole?
The InChIKey is JODLNZGOAVVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-9(2)5-7-3-4-10-8(7)6-9/h3-6,10H,1-2H3.
What are the key properties of 5,5-dimethyl-1H-cyclopenta[b]pyrrole?
5,5-dimethyl-1H-cyclopenta[b]pyrrole has a molecular weight of 133.19 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1H-cyclopenta[b]pyrrole is sourced from PubChem (CID 90976913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).