(4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine

C7H10I2N2 — CID 163503364

IUPAC(4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine
SMILES[H]/N=C1\CN[C@H](I=C)C\C1=C/I
InChIInChI=1S/C7H10I2N2/c1-9-7-2-5(3-8)6(10)4-11-7/h3,7,10-11H,1-2,4H2/b5-3+,10-6+/t7-/m0/s1
InChIKeyCWPRQZXRZPQHBE-XXKLFVRWSA-N
MW375.98 g/mol
LogP2.05
Rot. Bonds1

About (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine

(4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine (PubChem CID 163503364) has the molecular formula C7H10I2N2 and a molecular weight of 375.98 g/mol. Its IUPAC name is (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine.

Molecular Properties

Compound Name(4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine
PubChem CID163503364
Molecular FormulaC7H10I2N2
Molecular Weight375.98 g/mol
Exact Mass375.89
IUPAC Name(4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine
SMILES[H]/N=C1\CN[C@H](I=C)C\C1=C/I
InChIInChI=1S/C7H10I2N2/c1-9-7-2-5(3-8)6(10)4-11-7/h3,7,10-11H,1-2,4H2/b5-3+,10-6+/t7-/m0/s1
InChIKeyCWPRQZXRZPQHBE-XXKLFVRWSA-N
XLogP2.05
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.98
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine?
The IUPAC name of (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine (CID 163503364) is (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine.
What is the SMILES notation for (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine?
The canonical SMILES for (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine is [H]/N=C1\CN[C@H](I=C)C\C1=C/I.
What is the InChIKey of (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine?
The InChIKey is CWPRQZXRZPQHBE-XXKLFVRWSA-N. The full InChI is InChI=1S/C7H10I2N2/c1-9-7-2-5(3-8)6(10)4-11-7/h3,7,10-11H,1-2,4H2/b5-3+,10-6+/t7-/m0/s1.
What are the key properties of (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine?
(4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine has a molecular weight of 375.98 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6R)-4-(iodomethylidene)-6-(methylidene-λ3-iodanyl)piperidin-3-imine is sourced from PubChem (CID 163503364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).