3-methylidene-2H-cyclopenta[c]pyrrole

C8H7N — CID 91249511

IUPAC3-methylidene-2H-cyclopenta[c]pyrrole
SMILESC=c1[nH]cc2c1=CC=C2
InChIInChI=1S/C8H7N/c1-6-8-4-2-3-7(8)5-9-6/h2-5,9H,1H2
InChIKeyJOGCZIWGSSMFJZ-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.23
Rot. Bonds

About 3-methylidene-2H-cyclopenta[c]pyrrole

3-methylidene-2H-cyclopenta[c]pyrrole (PubChem CID 91249511) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-methylidene-2H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-methylidene-2H-cyclopenta[c]pyrrole
PubChem CID91249511
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name3-methylidene-2H-cyclopenta[c]pyrrole
SMILESC=c1[nH]cc2c1=CC=C2
InChIInChI=1S/C8H7N/c1-6-8-4-2-3-7(8)5-9-6/h2-5,9H,1H2
InChIKeyJOGCZIWGSSMFJZ-UHFFFAOYSA-N
XLogP0.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2H-cyclopenta[c]pyrrole?
The IUPAC name of 3-methylidene-2H-cyclopenta[c]pyrrole (CID 91249511) is 3-methylidene-2H-cyclopenta[c]pyrrole.
What is the SMILES notation for 3-methylidene-2H-cyclopenta[c]pyrrole?
The canonical SMILES for 3-methylidene-2H-cyclopenta[c]pyrrole is C=c1[nH]cc2c1=CC=C2.
What is the InChIKey of 3-methylidene-2H-cyclopenta[c]pyrrole?
The InChIKey is JOGCZIWGSSMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-6-8-4-2-3-7(8)5-9-6/h2-5,9H,1H2.
What are the key properties of 3-methylidene-2H-cyclopenta[c]pyrrole?
3-methylidene-2H-cyclopenta[c]pyrrole has a molecular weight of 117.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2H-cyclopenta[c]pyrrole is sourced from PubChem (CID 91249511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).