2,5-dimethyl-3H-pyrrol-1-ium

C6H10N+ — CID 58892180

IUPAC2,5-dimethyl-3H-pyrrol-1-ium
SMILESCC1=CCC(C)=[NH+]1
InChIInChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3/p+1
InChIKeyFZHMSVPYPPYTOC-UHFFFAOYSA-O
MW96.15 g/mol
LogP-0.16
Rot. Bonds

About 2,5-dimethyl-3H-pyrrol-1-ium

2,5-dimethyl-3H-pyrrol-1-ium (PubChem CID 58892180) has the molecular formula C6H10N+ and a molecular weight of 96.15 g/mol. Its IUPAC name is 2,5-dimethyl-3H-pyrrol-1-ium.

Molecular Properties

Compound Name2,5-dimethyl-3H-pyrrol-1-ium
PubChem CID58892180
Molecular FormulaC6H10N+
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Name2,5-dimethyl-3H-pyrrol-1-ium
SMILESCC1=CCC(C)=[NH+]1
InChIInChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3/p+1
InChIKeyFZHMSVPYPPYTOC-UHFFFAOYSA-O
XLogP-0.16
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,5-dimethyl-3H-pyrrol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3H-pyrrol-1-ium?
The IUPAC name of 2,5-dimethyl-3H-pyrrol-1-ium (CID 58892180) is 2,5-dimethyl-3H-pyrrol-1-ium.
What is the SMILES notation for 2,5-dimethyl-3H-pyrrol-1-ium?
The canonical SMILES for 2,5-dimethyl-3H-pyrrol-1-ium is CC1=CCC(C)=[NH+]1.
What is the InChIKey of 2,5-dimethyl-3H-pyrrol-1-ium?
The InChIKey is FZHMSVPYPPYTOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3/p+1.
What are the key properties of 2,5-dimethyl-3H-pyrrol-1-ium?
2,5-dimethyl-3H-pyrrol-1-ium has a molecular weight of 96.15 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3H-pyrrol-1-ium is sourced from PubChem (CID 58892180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).