iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane

C5H9AlINO — CID 163991349

IUPACiodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane
SMILESC=C1CNC[C@@H]1O[AlH]I
InChIInChI=1S/C5H8NO.Al.HI.H/c1-4-2-6-3-5(4)7;;;/h5-6H,1-3H2;;1H;/q-1;+2;;/p-1/t5-;;;/m0.../s1
InChIKeyUAWNXXVVBPQWQA-BHRFRFAJSA-M
MW253.02 g/mol
LogP0.23
Rot. Bonds2

About iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane

iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane (PubChem CID 163991349) has the molecular formula C5H9AlINO and a molecular weight of 253.02 g/mol. Its IUPAC name is iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane.

Molecular Properties

Compound Nameiodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane
PubChem CID163991349
Molecular FormulaC5H9AlINO
Molecular Weight253.02 g/mol
Exact Mass252.95
IUPAC Nameiodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane
SMILESC=C1CNC[C@@H]1O[AlH]I
InChIInChI=1S/C5H8NO.Al.HI.H/c1-4-2-6-3-5(4)7;;;/h5-6H,1-3H2;;1H;/q-1;+2;;/p-1/t5-;;;/m0.../s1
InChIKeyUAWNXXVVBPQWQA-BHRFRFAJSA-M
XLogP0.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.02
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane 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

[(3S)-4-methylidenepyrrolidin-3-yl] benzoate
CID 139325279
4-fluoro-3-methyl-5-methylidenepiperidine
CID 91562476
3-methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
CID 68813031
3-fluoro-5-methylidenepiperidine
CID 91005006
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
3-(fluoromethyl)-5-methylidenepiperidine
CID 91311017
ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 90725395
4-methylidenepiperidin-3-ol
CID 70262257
ethene;(3S)-3-methoxypyrrolidine
CID 145336336
2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-4-ol
CID 135590582
2-methylidene-5-(5-methylidene-2-bicyclo[2.2.1]heptanylidene)bicyclo[2.2.1]heptane
CID 91437730
5-prop-2-enyl-1,2,3,6-tetrahydropyridin-3-amine
CID 165451425

Frequently Asked Questions

What is the IUPAC name of iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane?
The IUPAC name of iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane (CID 163991349) is iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane.
What is the SMILES notation for iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane?
The canonical SMILES for iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane is C=C1CNC[C@@H]1O[AlH]I.
What is the InChIKey of iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane?
The InChIKey is UAWNXXVVBPQWQA-BHRFRFAJSA-M. The full InChI is InChI=1S/C5H8NO.Al.HI.H/c1-4-2-6-3-5(4)7;;;/h5-6H,1-3H2;;1H;/q-1;+2;;/p-1/t5-;;;/m0.../s1.
What are the key properties of iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane?
iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane has a molecular weight of 253.02 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[(3R)-4-methylidenepyrrolidin-3-yl]oxyalumane is sourced from PubChem (CID 163991349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).