5-methylidene-1H-cyclopenta[b]pyrrole

C8H7N — CID 91054673

IUPAC5-methylidene-1H-cyclopenta[b]pyrrole
SMILESC=C1C=c2cc[nH]c2=C1
InChIInChI=1S/C8H7N/c1-6-4-7-2-3-9-8(7)5-6/h2-5,9H,1H2
InChIKeyALSHRBKOPRMFQB-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.15
Rot. Bonds

About 5-methylidene-1H-cyclopenta[b]pyrrole

5-methylidene-1H-cyclopenta[b]pyrrole (PubChem CID 91054673) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-methylidene-1H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name5-methylidene-1H-cyclopenta[b]pyrrole
PubChem CID91054673
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name5-methylidene-1H-cyclopenta[b]pyrrole
SMILESC=C1C=c2cc[nH]c2=C1
InChIInChI=1S/C8H7N/c1-6-4-7-2-3-9-8(7)5-6/h2-5,9H,1H2
InChIKeyALSHRBKOPRMFQB-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1H-cyclopenta[b]pyrrole?
The IUPAC name of 5-methylidene-1H-cyclopenta[b]pyrrole (CID 91054673) is 5-methylidene-1H-cyclopenta[b]pyrrole.
What is the SMILES notation for 5-methylidene-1H-cyclopenta[b]pyrrole?
The canonical SMILES for 5-methylidene-1H-cyclopenta[b]pyrrole is C=C1C=c2cc[nH]c2=C1.
What is the InChIKey of 5-methylidene-1H-cyclopenta[b]pyrrole?
The InChIKey is ALSHRBKOPRMFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-6-4-7-2-3-9-8(7)5-6/h2-5,9H,1H2.
What are the key properties of 5-methylidene-1H-cyclopenta[b]pyrrole?
5-methylidene-1H-cyclopenta[b]pyrrole has a molecular weight of 117.15 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1H-cyclopenta[b]pyrrole is sourced from PubChem (CID 91054673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).