(3S)-3-iodomorpholine

C4H8INO — CID 89004392

IUPAC(3S)-3-iodomorpholine
SMILESI[C@H]1COCCN1
InChIInChI=1S/C4H8INO/c5-4-3-7-2-1-6-4/h4,6H,1-3H2/t4-/m1/s1
InChIKeyDFVCFSLAVONZDZ-SCSAIBSYSA-N
MW213.02 g/mol
LogP0.37
Rot. Bonds

About (3S)-3-iodomorpholine

(3S)-3-iodomorpholine (PubChem CID 89004392) has the molecular formula C4H8INO and a molecular weight of 213.02 g/mol. Its IUPAC name is (3S)-3-iodomorpholine.

Molecular Properties

Compound Name(3S)-3-iodomorpholine
PubChem CID89004392
Molecular FormulaC4H8INO
Molecular Weight213.02 g/mol
Exact Mass212.97
IUPAC Name(3S)-3-iodomorpholine
SMILESI[C@H]1COCCN1
InChIInChI=1S/C4H8INO/c5-4-3-7-2-1-6-4/h4,6H,1-3H2/t4-/m1/s1
InChIKeyDFVCFSLAVONZDZ-SCSAIBSYSA-N
XLogP0.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-iodomorpholine?
The IUPAC name of (3S)-3-iodomorpholine (CID 89004392) is (3S)-3-iodomorpholine.
What is the SMILES notation for (3S)-3-iodomorpholine?
The canonical SMILES for (3S)-3-iodomorpholine is I[C@H]1COCCN1.
What is the InChIKey of (3S)-3-iodomorpholine?
The InChIKey is DFVCFSLAVONZDZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8INO/c5-4-3-7-2-1-6-4/h4,6H,1-3H2/t4-/m1/s1.
What are the key properties of (3S)-3-iodomorpholine?
(3S)-3-iodomorpholine has a molecular weight of 213.02 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-iodomorpholine is sourced from PubChem (CID 89004392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).