1,2-dimethyl-3H-pyrrol-3-ide;iridium

C6H8IrN- — CID 59469768

IUPAC1,2-dimethyl-3H-pyrrol-3-ide;iridium
SMILESCc1[c-]ccn1C.[Ir]
InChIInChI=1S/C6H8N.Ir/c1-6-4-3-5-7(6)2;/h3,5H,1-2H3;/q-1;
InChIKeyVVZBLVDYFPSJCF-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.13
Rot. Bonds

About 1,2-dimethyl-3H-pyrrol-3-ide;iridium

1,2-dimethyl-3H-pyrrol-3-ide;iridium (PubChem CID 59469768) has the molecular formula C6H8IrN- and a molecular weight of 286.35 g/mol. Its IUPAC name is 1,2-dimethyl-3H-pyrrol-3-ide;iridium.

Molecular Properties

Compound Name1,2-dimethyl-3H-pyrrol-3-ide;iridium
PubChem CID59469768
Molecular FormulaC6H8IrN-
Molecular Weight286.35 g/mol
Exact Mass287.03
IUPAC Name1,2-dimethyl-3H-pyrrol-3-ide;iridium
SMILESCc1[c-]ccn1C.[Ir]
InChIInChI=1S/C6H8N.Ir/c1-6-4-3-5-7(6)2;/h3,5H,1-2H3;/q-1;
InChIKeyVVZBLVDYFPSJCF-UHFFFAOYSA-N
XLogP1.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-3H-pyrrol-3-ide;iridium with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-2-methylidenepyridine
CID 14963017
Trimethyl 1h pyrrolium bromide
CID 129801372
potassium 1-prop-1-en-2-yl-2H-pyrrol-2-ide
CID 164681759
1-methyl-5-methylidene-2H-pyrrole
CID 20756101
1,5-dimethyl-3H-pyrrol-3-ide;yttrium
CID 60087202
(3E,5Z)-N-ethenyl-N-methylhepta-1,3,5-trien-4-amine
CID 89098818
1,2-Dimethylazepine
CID 118136686
1,1-dimethyl-5-methylidene-2H-pyrrol-1-ium
CID 123593441
N-ethenyl-N-methylpenta-2,4-dien-2-amine
CID 123672208
2-Methyl-1-methylidenepyrrol-1-ium
CID 123728780
(2E)-N-ethenyl-N-methylpenta-2,4-dien-2-amine
CID 126583892
1,1,2-Trimethylpyrrol-1-ium
CID 129801373

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3H-pyrrol-3-ide;iridium?
The IUPAC name of 1,2-dimethyl-3H-pyrrol-3-ide;iridium (CID 59469768) is 1,2-dimethyl-3H-pyrrol-3-ide;iridium.
What is the SMILES notation for 1,2-dimethyl-3H-pyrrol-3-ide;iridium?
The canonical SMILES for 1,2-dimethyl-3H-pyrrol-3-ide;iridium is Cc1[c-]ccn1C.[Ir].
What is the InChIKey of 1,2-dimethyl-3H-pyrrol-3-ide;iridium?
The InChIKey is VVZBLVDYFPSJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.Ir/c1-6-4-3-5-7(6)2;/h3,5H,1-2H3;/q-1;.
What are the key properties of 1,2-dimethyl-3H-pyrrol-3-ide;iridium?
1,2-dimethyl-3H-pyrrol-3-ide;iridium has a molecular weight of 286.35 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3H-pyrrol-3-ide;iridium is sourced from PubChem (CID 59469768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).