7-(hydroxyamino)oct-7-en-2-one

C8H15NO2 — CID 143059142

IUPAC7-(hydroxyamino)oct-7-en-2-one
SMILESC=C(CCCCC(C)=O)NO
InChIInChI=1S/C8H15NO2/c1-7(9-11)5-3-4-6-8(2)10/h9,11H,1,3-6H2,2H3
InChIKeyGWBCCZVPAUYXFR-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.63
Rot. Bonds6

About 7-(hydroxyamino)oct-7-en-2-one

7-(hydroxyamino)oct-7-en-2-one (PubChem CID 143059142) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 7-(hydroxyamino)oct-7-en-2-one.

Molecular Properties

Compound Name7-(hydroxyamino)oct-7-en-2-one
PubChem CID143059142
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name7-(hydroxyamino)oct-7-en-2-one
SMILESC=C(CCCCC(C)=O)NO
InChIInChI=1S/C8H15NO2/c1-7(9-11)5-3-4-6-8(2)10/h9,11H,1,3-6H2,2H3
InChIKeyGWBCCZVPAUYXFR-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.63
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

5-(Hydroxyamino)hex-5-en-2-one
CID 89146591
7-Aminooct-7-en-3-one
CID 121306713
9-(Hydroxyamino)dec-9-en-2-one
CID 143666602
3-[2-(Hydroxyamino)prop-2-enyl]heptan-2-one
CID 142070785

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxyamino)oct-7-en-2-one?
The IUPAC name of 7-(hydroxyamino)oct-7-en-2-one (CID 143059142) is 7-(hydroxyamino)oct-7-en-2-one.
What is the SMILES notation for 7-(hydroxyamino)oct-7-en-2-one?
The canonical SMILES for 7-(hydroxyamino)oct-7-en-2-one is C=C(CCCCC(C)=O)NO.
What is the InChIKey of 7-(hydroxyamino)oct-7-en-2-one?
The InChIKey is GWBCCZVPAUYXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(9-11)5-3-4-6-8(2)10/h9,11H,1,3-6H2,2H3.
What are the key properties of 7-(hydroxyamino)oct-7-en-2-one?
7-(hydroxyamino)oct-7-en-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxyamino)oct-7-en-2-one is sourced from PubChem (CID 143059142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).