iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium

C31H61ClI4N5O4V — CID 167711779

IUPACiodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium
SMILESC.C1CCNC1.CI.CN1CCC(C(=O)Cl)CC1.CN1CCC(C(=O)N2CCCC2)CC1.CN1CCC(C(=O)O)CC1.I[V](I)I
InChIInChI=1S/C11H20N2O.C7H12ClNO.C7H13NO2.C4H9N.CH3I.CH4.3HI.V/c1-12-8-4-10(5-9-12)11(14)13-6-2-3-7-13;1-9-4-2-6(3-5-9)7(8)10;1-8-4-2-6(3-5-8)7(9)10;1-2-4-5-3-1;1-2;;;;;/h10H,2-9H2,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3,(H,9,10);5H,1-4H2;1H3;1H4;3*1H;/q;;;;;;;;;+3/p-3
InChIKeyZYFPZDKMZDDMTD-UHFFFAOYSA-K
MW1161.87 g/mol
LogP7.17
Rot. Bonds3

About iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium

iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium (PubChem CID 167711779) has the molecular formula C31H61ClI4N5O4V and a molecular weight of 1161.87 g/mol. Its IUPAC name is iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium.

Molecular Properties

Compound Nameiodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium
PubChem CID167711779
Molecular FormulaC31H61ClI4N5O4V
Molecular Weight1161.87 g/mol
Exact Mass1161.00
IUPAC Nameiodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium
SMILESC.C1CCNC1.CI.CN1CCC(C(=O)Cl)CC1.CN1CCC(C(=O)N2CCCC2)CC1.CN1CCC(C(=O)O)CC1.I[V](I)I
InChIInChI=1S/C11H20N2O.C7H12ClNO.C7H13NO2.C4H9N.CH3I.CH4.3HI.V/c1-12-8-4-10(5-9-12)11(14)13-6-2-3-7-13;1-9-4-2-6(3-5-9)7(8)10;1-8-4-2-6(3-5-8)7(9)10;1-2-4-5-3-1;1-2;;;;;/h10H,2-9H2,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3,(H,9,10);5H,1-4H2;1H3;1H4;3*1H;/q;;;;;;;;;+3/p-3
InChIKeyZYFPZDKMZDDMTD-UHFFFAOYSA-K
XLogP7.17
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.87
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium 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 iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium?
The IUPAC name of iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium (CID 167711779) is iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium.
What is the SMILES notation for iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium?
The canonical SMILES for iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium is C.C1CCNC1.CI.CN1CCC(C(=O)Cl)CC1.CN1CCC(C(=O)N2CCCC2)CC1.CN1CCC(C(=O)O)CC1.I[V](I)I.
What is the InChIKey of iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium?
The InChIKey is ZYFPZDKMZDDMTD-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H20N2O.C7H12ClNO.C7H13NO2.C4H9N.CH3I.CH4.3HI.V/c1-12-8-4-10(5-9-12)11(14)13-6-2-3-7-13;1-9-4-2-6(3-5-9)7(8)10;1-8-4-2-6(3-5-8)7(9)10;1-2-4-5-3-1;1-2;;;;;/h10H,2-9H2,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3,(H,9,10);5H,1-4H2;1H3;1H4;3*1H;/q;;;;;;;;;+3/p-3.
What are the key properties of iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium?
iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium has a molecular weight of 1161.87 g/mol, XLogP of 7.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;methane;1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;(1-methylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;pyrrolidine;triiodovanadium is sourced from PubChem (CID 167711779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).