8-(hydroxyamino)octan-2-one

C8H17NO2 — CID 89395522

IUPAC8-(hydroxyamino)octan-2-one
SMILESCC(=O)CCCCCCNO
InChIInChI=1S/C8H17NO2/c1-8(10)6-4-2-3-5-7-9-11/h9,11H,2-7H2,1H3
InChIKeyHZPGINHGLZZPIS-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.50
Rot. Bonds7

About 8-(hydroxyamino)octan-2-one

8-(hydroxyamino)octan-2-one (PubChem CID 89395522) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 8-(hydroxyamino)octan-2-one.

Molecular Properties

Compound Name8-(hydroxyamino)octan-2-one
PubChem CID89395522
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name8-(hydroxyamino)octan-2-one
SMILESCC(=O)CCCCCCNO
InChIInChI=1S/C8H17NO2/c1-8(10)6-4-2-3-5-7-9-11/h9,11H,2-7H2,1H3
InChIKeyHZPGINHGLZZPIS-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
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

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
13-(methylamino)tridecan-2-one
CID 23382037
ethane;7-(methylamino)heptan-2-one
CID 176694896
N-(8-oxononyl)acetamide
CID 58114719
6-(hydroxyamino)hexanamide
CID 167194445
8-(ethylamino)octan-2-one
CID 170584616
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
N-(12-oxotridecyl)propanamide
CID 171540592
7-(methylamino)heptan-2-one;1-(methylamino)propan-2-one;tetradecane-2,13-dione
CID 123967487
1,3-bis(5-oxohexyl)thiourea
CID 56598326

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxyamino)octan-2-one?
The IUPAC name of 8-(hydroxyamino)octan-2-one (CID 89395522) is 8-(hydroxyamino)octan-2-one.
What is the SMILES notation for 8-(hydroxyamino)octan-2-one?
The canonical SMILES for 8-(hydroxyamino)octan-2-one is CC(=O)CCCCCCNO.
What is the InChIKey of 8-(hydroxyamino)octan-2-one?
The InChIKey is HZPGINHGLZZPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(10)6-4-2-3-5-7-9-11/h9,11H,2-7H2,1H3.
What are the key properties of 8-(hydroxyamino)octan-2-one?
8-(hydroxyamino)octan-2-one has a molecular weight of 159.23 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxyamino)octan-2-one is sourced from PubChem (CID 89395522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).