3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one

C7H12IN2O3- — CID 163932086

IUPAC3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N(CO)[I-]O)C(=O)N1
InChIInChI=1S/C7H12IN2O3/c1-5-2-3-6(7(12)9-5)10(4-11)8-13/h6,11,13H,1-4H2,(H,9,12)/q-1
InChIKeyTXFPZYJTYSCLLB-UHFFFAOYSA-N
MW299.09 g/mol
LogP-4.06
Rot. Bonds3

About 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one

3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one (PubChem CID 163932086) has the molecular formula C7H12IN2O3- and a molecular weight of 299.09 g/mol. Its IUPAC name is 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one
PubChem CID163932086
Molecular FormulaC7H12IN2O3-
Molecular Weight299.09 g/mol
Exact Mass298.99
IUPAC Name3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N(CO)[I-]O)C(=O)N1
InChIInChI=1S/C7H12IN2O3/c1-5-2-3-6(7(12)9-5)10(4-11)8-13/h6,11,13H,1-4H2,(H,9,12)/q-1
InChIKeyTXFPZYJTYSCLLB-UHFFFAOYSA-N
XLogP-4.06
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 5-4.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-6-methylidenepiperidin-2-one
CID 132135290
3-(Methylamino)-6-methylidenepiperidin-2-one
CID 132135335
ethane;N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 141788912
2-[Methyl-(2-methylidene-6-oxopiperidin-3-yl)amino]acetamide
CID 158776534
3-(Ethylamino)-6-methylidenepiperidin-2-one
CID 164923084
3-Amino-1-iodo-6-methylidenepiperidin-2-one
CID 170004453
(3S)-3-amino-6-methylidenepiperidin-2-one
CID 170229748
(3R)-3-amino-6-methylidenepiperidin-2-one
CID 170229750
N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 141788913
N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 142364794
N-formyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 169257703
5-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)pentanamide
CID 176669671

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one?
The IUPAC name of 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one (CID 163932086) is 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one is C=C1CCC(N(CO)[I-]O)C(=O)N1.
What is the InChIKey of 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one?
The InChIKey is TXFPZYJTYSCLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN2O3/c1-5-2-3-6(7(12)9-5)10(4-11)8-13/h6,11,13H,1-4H2,(H,9,12)/q-1.
What are the key properties of 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one?
3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one has a molecular weight of 299.09 g/mol, XLogP of -4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 163932086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).