(E)-5-iodo-4-methyliminopent-2-en-3-ol

C6H10INO — CID 118890961

IUPAC(E)-5-iodo-4-methyliminopent-2-en-3-ol
SMILESC/C=C(O)\C(CI)=N\C
InChIInChI=1S/C6H10INO/c1-3-6(9)5(4-7)8-2/h3,9H,4H2,1-2H3/b6-3+,8-5+
InChIKeyQQBZISHWDBNARK-JENUQAQBSA-N
MW239.06 g/mol
LogP1.95
Rot. Bonds2

About (E)-5-iodo-4-methyliminopent-2-en-3-ol

(E)-5-iodo-4-methyliminopent-2-en-3-ol (PubChem CID 118890961) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is (E)-5-iodo-4-methyliminopent-2-en-3-ol.

Molecular Properties

Compound Name(E)-5-iodo-4-methyliminopent-2-en-3-ol
PubChem CID118890961
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name(E)-5-iodo-4-methyliminopent-2-en-3-ol
SMILESC/C=C(O)\C(CI)=N\C
InChIInChI=1S/C6H10INO/c1-3-6(9)5(4-7)8-2/h3,9H,4H2,1-2H3/b6-3+,8-5+
InChIKeyQQBZISHWDBNARK-JENUQAQBSA-N
XLogP1.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-iodo-4-methyliminopent-2-en-3-ol?
The IUPAC name of (E)-5-iodo-4-methyliminopent-2-en-3-ol (CID 118890961) is (E)-5-iodo-4-methyliminopent-2-en-3-ol.
What is the SMILES notation for (E)-5-iodo-4-methyliminopent-2-en-3-ol?
The canonical SMILES for (E)-5-iodo-4-methyliminopent-2-en-3-ol is C/C=C(O)\C(CI)=N\C.
What is the InChIKey of (E)-5-iodo-4-methyliminopent-2-en-3-ol?
The InChIKey is QQBZISHWDBNARK-JENUQAQBSA-N. The full InChI is InChI=1S/C6H10INO/c1-3-6(9)5(4-7)8-2/h3,9H,4H2,1-2H3/b6-3+,8-5+.
What are the key properties of (E)-5-iodo-4-methyliminopent-2-en-3-ol?
(E)-5-iodo-4-methyliminopent-2-en-3-ol has a molecular weight of 239.06 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-iodo-4-methyliminopent-2-en-3-ol is sourced from PubChem (CID 118890961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).