(3R)-3-tert-butyl-1-iodopyrrolidine

C8H16IN — CID 139520249

IUPAC(3R)-3-tert-butyl-1-iodopyrrolidine
SMILESCC(C)(C)[C@H]1CCN(I)C1
InChIInChI=1S/C8H16IN/c1-8(2,3)7-4-5-10(9)6-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyPMXAXFINLBCMKD-ZETCQYMHSA-N
MW253.13 g/mol
LogP2.70
Rot. Bonds

About (3R)-3-tert-butyl-1-iodopyrrolidine

(3R)-3-tert-butyl-1-iodopyrrolidine (PubChem CID 139520249) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is (3R)-3-tert-butyl-1-iodopyrrolidine.

Molecular Properties

Compound Name(3R)-3-tert-butyl-1-iodopyrrolidine
PubChem CID139520249
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name(3R)-3-tert-butyl-1-iodopyrrolidine
SMILESCC(C)(C)[C@H]1CCN(I)C1
InChIInChI=1S/C8H16IN/c1-8(2,3)7-4-5-10(9)6-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyPMXAXFINLBCMKD-ZETCQYMHSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
3-tert-butyl-1-cyclopropylsulfanylpyrrolidine
CID 142366543
1,3-ditert-butylpiperidine;methane
CID 157116364
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
(3R)-1-iodo-N-methylpyrrolidin-3-amine
CID 138494827
3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine
CID 130402090
3-tert-butyl-1-[5-(1-tert-butylazetidin-3-yl)-2,5-dimethylhexan-2-yl]pyrrolidine
CID 126725527
1,4-ditert-butyl-2,2,3-trideuteriopiperidine
CID 176728380
4-tert-butyl-1-(trideuteriomethyl)piperidine
CID 176754624

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-1-iodopyrrolidine?
The IUPAC name of (3R)-3-tert-butyl-1-iodopyrrolidine (CID 139520249) is (3R)-3-tert-butyl-1-iodopyrrolidine.
What is the SMILES notation for (3R)-3-tert-butyl-1-iodopyrrolidine?
The canonical SMILES for (3R)-3-tert-butyl-1-iodopyrrolidine is CC(C)(C)[C@H]1CCN(I)C1.
What is the InChIKey of (3R)-3-tert-butyl-1-iodopyrrolidine?
The InChIKey is PMXAXFINLBCMKD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16IN/c1-8(2,3)7-4-5-10(9)6-7/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3R)-3-tert-butyl-1-iodopyrrolidine?
(3R)-3-tert-butyl-1-iodopyrrolidine has a molecular weight of 253.13 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-1-iodopyrrolidine is sourced from PubChem (CID 139520249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).