O-hex-5-enylhydroxylamine

C6H13NO — CID 91622084

IUPACO-hex-5-enylhydroxylamine
SMILESC=CCCCCON
InChIInChI=1S/C6H13NO/c1-2-3-4-5-6-8-7/h2H,1,3-7H2
InChIKeyXBYCRMXFWHFJSI-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.23
Rot. Bonds5

About O-hex-5-enylhydroxylamine

O-hex-5-enylhydroxylamine (PubChem CID 91622084) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is O-hex-5-enylhydroxylamine.

Molecular Properties

Compound NameO-hex-5-enylhydroxylamine
PubChem CID91622084
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameO-hex-5-enylhydroxylamine
SMILESC=CCCCCON
InChIInChI=1S/C6H13NO/c1-2-3-4-5-6-8-7/h2H,1,3-7H2
InChIKeyXBYCRMXFWHFJSI-UHFFFAOYSA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-hex-5-enylhydroxylamine?
The IUPAC name of O-hex-5-enylhydroxylamine (CID 91622084) is O-hex-5-enylhydroxylamine.
What is the SMILES notation for O-hex-5-enylhydroxylamine?
The canonical SMILES for O-hex-5-enylhydroxylamine is C=CCCCCON.
What is the InChIKey of O-hex-5-enylhydroxylamine?
The InChIKey is XBYCRMXFWHFJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-4-5-6-8-7/h2H,1,3-7H2.
What are the key properties of O-hex-5-enylhydroxylamine?
O-hex-5-enylhydroxylamine has a molecular weight of 115.18 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-hex-5-enylhydroxylamine is sourced from PubChem (CID 91622084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).