1-iodo-6-methylpiperidin-2-one

C6H10INO — CID 135233240

IUPAC1-iodo-6-methylpiperidin-2-one
SMILESCC1CCCC(=O)N1I
InChIInChI=1S/C6H10INO/c1-5-3-2-4-6(9)8(5)7/h5H,2-4H2,1H3
InChIKeyIHEBFQNXXAPZKA-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.74
Rot. Bonds

About 1-iodo-6-methylpiperidin-2-one

1-iodo-6-methylpiperidin-2-one (PubChem CID 135233240) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 1-iodo-6-methylpiperidin-2-one.

Molecular Properties

Compound Name1-iodo-6-methylpiperidin-2-one
PubChem CID135233240
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name1-iodo-6-methylpiperidin-2-one
SMILESCC1CCCC(=O)N1I
InChIInChI=1S/C6H10INO/c1-5-3-2-4-6(9)8(5)7/h5H,2-4H2,1H3
InChIKeyIHEBFQNXXAPZKA-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 1-iodo-6-methylpiperidin-2-one?
The IUPAC name of 1-iodo-6-methylpiperidin-2-one (CID 135233240) is 1-iodo-6-methylpiperidin-2-one.
What is the SMILES notation for 1-iodo-6-methylpiperidin-2-one?
The canonical SMILES for 1-iodo-6-methylpiperidin-2-one is CC1CCCC(=O)N1I.
What is the InChIKey of 1-iodo-6-methylpiperidin-2-one?
The InChIKey is IHEBFQNXXAPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-5-3-2-4-6(9)8(5)7/h5H,2-4H2,1H3.
What are the key properties of 1-iodo-6-methylpiperidin-2-one?
1-iodo-6-methylpiperidin-2-one has a molecular weight of 239.06 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-6-methylpiperidin-2-one is sourced from PubChem (CID 135233240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).