1-(oxidoamino)decan-4-one

C10H20NO2- — CID 143220146

IUPAC1-(oxidoamino)decan-4-one
SMILESCCCCCCC(=O)CCCN[O-]
InChIInChI=1S/C10H20NO2/c1-2-3-4-5-7-10(12)8-6-9-11-13/h11H,2-9H2,1H3/q-1
InChIKeySVBIBGJBXHYYRK-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.39
Rot. Bonds9

About 1-(oxidoamino)decan-4-one

1-(oxidoamino)decan-4-one (PubChem CID 143220146) has the molecular formula C10H20NO2- and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-(oxidoamino)decan-4-one.

Molecular Properties

Compound Name1-(oxidoamino)decan-4-one
PubChem CID143220146
Molecular FormulaC10H20NO2-
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1-(oxidoamino)decan-4-one
SMILESCCCCCCC(=O)CCCN[O-]
InChIInChI=1S/C10H20NO2/c1-2-3-4-5-7-10(12)8-6-9-11-13/h11H,2-9H2,1H3/q-1
InChIKeySVBIBGJBXHYYRK-UHFFFAOYSA-N
XLogP2.39
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
1-(butylamino)nonadecan-4-one
CID 156784591
dodecan-5-one
CID 29771
2-oxo-N-(4-oxooctyl)hexadecanamide
CID 44562729
N-(4-oxotetradecyl)acetamide
CID 164678896
ethane-1,2-diol;1-(4-oxopentadecylamino)pentadecan-4-one
CID 170312287

Frequently Asked Questions

What is the IUPAC name of 1-(oxidoamino)decan-4-one?
The IUPAC name of 1-(oxidoamino)decan-4-one (CID 143220146) is 1-(oxidoamino)decan-4-one.
What is the SMILES notation for 1-(oxidoamino)decan-4-one?
The canonical SMILES for 1-(oxidoamino)decan-4-one is CCCCCCC(=O)CCCN[O-].
What is the InChIKey of 1-(oxidoamino)decan-4-one?
The InChIKey is SVBIBGJBXHYYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2/c1-2-3-4-5-7-10(12)8-6-9-11-13/h11H,2-9H2,1H3/q-1.
What are the key properties of 1-(oxidoamino)decan-4-one?
1-(oxidoamino)decan-4-one has a molecular weight of 186.27 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxidoamino)decan-4-one is sourced from PubChem (CID 143220146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).