3-amino-1-iodo-6-methylidenepiperidin-2-one

C6H9IN2O — CID 170004453

IUPAC3-amino-1-iodo-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N)C(=O)N1I
InChIInChI=1S/C6H9IN2O/c1-4-2-3-5(8)6(10)9(4)7/h5H,1-3,8H2
InChIKeyBHQLDINJEOESCJ-UHFFFAOYSA-N
MW252.05 g/mol
LogP0.80
Rot. Bonds

About 3-amino-1-iodo-6-methylidenepiperidin-2-one

3-amino-1-iodo-6-methylidenepiperidin-2-one (PubChem CID 170004453) has the molecular formula C6H9IN2O and a molecular weight of 252.05 g/mol. Its IUPAC name is 3-amino-1-iodo-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-amino-1-iodo-6-methylidenepiperidin-2-one
PubChem CID170004453
Molecular FormulaC6H9IN2O
Molecular Weight252.05 g/mol
Exact Mass251.98
IUPAC Name3-amino-1-iodo-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N)C(=O)N1I
InChIInChI=1S/C6H9IN2O/c1-4-2-3-5(8)6(10)9(4)7/h5H,1-3,8H2
InChIKeyBHQLDINJEOESCJ-UHFFFAOYSA-N
XLogP0.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-amino-1-iodo-6-methylidenepiperidin-2-one?
The IUPAC name of 3-amino-1-iodo-6-methylidenepiperidin-2-one (CID 170004453) is 3-amino-1-iodo-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-amino-1-iodo-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-amino-1-iodo-6-methylidenepiperidin-2-one is C=C1CCC(N)C(=O)N1I.
What is the InChIKey of 3-amino-1-iodo-6-methylidenepiperidin-2-one?
The InChIKey is BHQLDINJEOESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O/c1-4-2-3-5(8)6(10)9(4)7/h5H,1-3,8H2.
What are the key properties of 3-amino-1-iodo-6-methylidenepiperidin-2-one?
3-amino-1-iodo-6-methylidenepiperidin-2-one has a molecular weight of 252.05 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-iodo-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170004453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).