1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium

C9H14N+ — CID 118097718

IUPAC1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium
SMILESC=C1C(C)=C(C)[N+](C)=C1C
InChIInChI=1S/C9H14N/c1-6-7(2)9(4)10(5)8(6)3/h1H2,2-5H3/q+1
InChIKeyQFSWJXUDMQNTLQ-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.95
Rot. Bonds

About 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium

1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium (PubChem CID 118097718) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium
PubChem CID118097718
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Name1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium
SMILESC=C1C(C)=C(C)[N+](C)=C1C
InChIInChI=1S/C9H14N/c1-6-7(2)9(4)10(5)8(6)3/h1H2,2-5H3/q+1
InChIKeyQFSWJXUDMQNTLQ-UHFFFAOYSA-N
XLogP1.95
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,2,3,5-tetramethyl-4-methylidenepyrrol-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 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium?
The IUPAC name of 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium (CID 118097718) is 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium?
The canonical SMILES for 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium is C=C1C(C)=C(C)[N+](C)=C1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium?
The InChIKey is QFSWJXUDMQNTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N/c1-6-7(2)9(4)10(5)8(6)3/h1H2,2-5H3/q+1.
What are the key properties of 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium?
1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium has a molecular weight of 136.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-methylidenepyrrol-1-ium is sourced from PubChem (CID 118097718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).