(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine

C9H15I2NO — CID 167139875

IUPAC(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine
SMILESC=C[C@@H](OC(I)I)[C@H]1CCCN1C
InChIInChI=1S/C9H15I2NO/c1-3-8(13-9(10)11)7-5-4-6-12(7)2/h3,7-9H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyQVKREGBNKTYAJV-HTQZYQBOSA-N
MW407.03 g/mol
LogP2.81
Rot. Bonds4

About (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine

(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine (PubChem CID 167139875) has the molecular formula C9H15I2NO and a molecular weight of 407.03 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine
PubChem CID167139875
Molecular FormulaC9H15I2NO
Molecular Weight407.03 g/mol
Exact Mass406.92
IUPAC Name(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine
SMILESC=C[C@@H](OC(I)I)[C@H]1CCCN1C
InChIInChI=1S/C9H15I2NO/c1-3-8(13-9(10)11)7-5-4-6-12(7)2/h3,7-9H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyQVKREGBNKTYAJV-HTQZYQBOSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.03
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine
CID 102326183
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
1-methyl-2-penta-3,4-dien-2-ylpyrrolidine
CID 130241849
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine
CID 176961339
prop-2-enyl (2R,3R)-3-hydroxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanoate
CID 137383412
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
CID 59120846
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426
2-fluoro-2-(1-methylpyrrolidin-2-yl)ethanol
CID 105429072
2-methoxy-2,3-dimethylbutane;1-methyl-2-propan-2-ylpyrrolidine
CID 172575783
hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten
CID 59075961

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine (CID 167139875) is (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine is C=C[C@@H](OC(I)I)[C@H]1CCCN1C.
What is the InChIKey of (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine?
The InChIKey is QVKREGBNKTYAJV-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15I2NO/c1-3-8(13-9(10)11)7-5-4-6-12(7)2/h3,7-9H,1,4-6H2,2H3/t7-,8-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine?
(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine has a molecular weight of 407.03 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine is sourced from PubChem (CID 167139875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).