(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate

C10H18INO2 — CID 169006679

IUPAC(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
SMILESCC(C)(C)C(I)OC(=O)N1CCCC1
InChIInChI=1S/C10H18INO2/c1-10(2,3)8(11)14-9(13)12-6-4-5-7-12/h8H,4-7H2,1-3H3
InChIKeyCGDRQAMEXQEUJL-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.03
Rot. Bonds1

About (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate

(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate (PubChem CID 169006679) has the molecular formula C10H18INO2 and a molecular weight of 311.16 g/mol. Its IUPAC name is (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
PubChem CID169006679
Molecular FormulaC10H18INO2
Molecular Weight311.16 g/mol
Exact Mass311.04
IUPAC Name(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
SMILESCC(C)(C)C(I)OC(=O)N1CCCC1
InChIInChI=1S/C10H18INO2/c1-10(2,3)8(11)14-9(13)12-6-4-5-7-12/h8H,4-7H2,1-3H3
InChIKeyCGDRQAMEXQEUJL-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 53.03
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'}

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Related Compounds

[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756
[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
CID 175255491
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 91068339
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
[(1R)-1-chloro-2-oxoethyl] pyrrolidine-1-carboxylate
CID 175450453
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988

Frequently Asked Questions

What is the IUPAC name of (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate?
The IUPAC name of (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate (CID 169006679) is (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate?
The canonical SMILES for (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate is CC(C)(C)C(I)OC(=O)N1CCCC1.
What is the InChIKey of (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate?
The InChIKey is CGDRQAMEXQEUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO2/c1-10(2,3)8(11)14-9(13)12-6-4-5-7-12/h8H,4-7H2,1-3H3.
What are the key properties of (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate?
(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate has a molecular weight of 311.16 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 169006679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).