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

C9H9N — CID 91395877

IUPAC5-ethylidene-1H-cyclopenta[b]pyrrole
SMILESCC=C1C=c2cc[nH]c2=C1
InChIInChI=1S/C9H9N/c1-2-7-5-8-3-4-10-9(8)6-7/h2-6,10H,1H3
InChIKeySEJBTUHTBAQKEI-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.54
Rot. Bonds

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

5-ethylidene-1H-cyclopenta[b]pyrrole (PubChem CID 91395877) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 5-ethylidene-1H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name5-ethylidene-1H-cyclopenta[b]pyrrole
PubChem CID91395877
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name5-ethylidene-1H-cyclopenta[b]pyrrole
SMILESCC=C1C=c2cc[nH]c2=C1
InChIInChI=1S/C9H9N/c1-2-7-5-8-3-4-10-9(8)6-7/h2-6,10H,1H3
InChIKeySEJBTUHTBAQKEI-UHFFFAOYSA-N
XLogP0.54
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-1H-cyclopenta[b]pyrrole?
The IUPAC name of 5-ethylidene-1H-cyclopenta[b]pyrrole (CID 91395877) is 5-ethylidene-1H-cyclopenta[b]pyrrole.
What is the SMILES notation for 5-ethylidene-1H-cyclopenta[b]pyrrole?
The canonical SMILES for 5-ethylidene-1H-cyclopenta[b]pyrrole is CC=C1C=c2cc[nH]c2=C1.
What is the InChIKey of 5-ethylidene-1H-cyclopenta[b]pyrrole?
The InChIKey is SEJBTUHTBAQKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-7-5-8-3-4-10-9(8)6-7/h2-6,10H,1H3.
What are the key properties of 5-ethylidene-1H-cyclopenta[b]pyrrole?
5-ethylidene-1H-cyclopenta[b]pyrrole has a molecular weight of 131.18 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-1H-cyclopenta[b]pyrrole is sourced from PubChem (CID 91395877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).