cyclopenta[c]pyrrol-2-ium

C7H6N+ — CID 173081004

IUPACcyclopenta[c]pyrrol-2-ium
SMILESC1=CC2=C[NH+]=CC2=C1
InChIInChI=1S/C7H5N/c1-2-6-4-8-5-7(6)3-1/h1-5H/p+1
InChIKeyNNHOUIKFCCIVCI-UHFFFAOYSA-O
MW104.13 g/mol
LogP-0.47
Rot. Bonds

About cyclopenta[c]pyrrol-2-ium

cyclopenta[c]pyrrol-2-ium (PubChem CID 173081004) has the molecular formula C7H6N+ and a molecular weight of 104.13 g/mol. Its IUPAC name is cyclopenta[c]pyrrol-2-ium.

Molecular Properties

Compound Namecyclopenta[c]pyrrol-2-ium
PubChem CID173081004
Molecular FormulaC7H6N+
Molecular Weight104.13 g/mol
Exact Mass104.05
IUPAC Namecyclopenta[c]pyrrol-2-ium
SMILESC1=CC2=C[NH+]=CC2=C1
InChIInChI=1S/C7H5N/c1-2-6-4-8-5-7(6)3-1/h1-5H/p+1
InChIKeyNNHOUIKFCCIVCI-UHFFFAOYSA-O
XLogP-0.47
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[c]pyrrol-2-ium?
The IUPAC name of cyclopenta[c]pyrrol-2-ium (CID 173081004) is cyclopenta[c]pyrrol-2-ium.
What is the SMILES notation for cyclopenta[c]pyrrol-2-ium?
The canonical SMILES for cyclopenta[c]pyrrol-2-ium is C1=CC2=C[NH+]=CC2=C1.
What is the InChIKey of cyclopenta[c]pyrrol-2-ium?
The InChIKey is NNHOUIKFCCIVCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H5N/c1-2-6-4-8-5-7(6)3-1/h1-5H/p+1.
What are the key properties of cyclopenta[c]pyrrol-2-ium?
cyclopenta[c]pyrrol-2-ium has a molecular weight of 104.13 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[c]pyrrol-2-ium is sourced from PubChem (CID 173081004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).