N-[(E)-hex-4-enyl]hydroxylamine

C6H13NO — CID 13493721

IUPACN-[(E)-hex-4-enyl]hydroxylamine
SMILESC/C=C/CCCNO
InChIInChI=1S/C6H13NO/c1-2-3-4-5-6-7-8/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyYKBZIOPOFCKQOH-NSCUHMNNSA-N
MW115.18 g/mol
LogP1.32
Rot. Bonds4

About N-[(E)-hex-4-enyl]hydroxylamine

N-[(E)-hex-4-enyl]hydroxylamine (PubChem CID 13493721) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-[(E)-hex-4-enyl]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-hex-4-enyl]hydroxylamine
PubChem CID13493721
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-[(E)-hex-4-enyl]hydroxylamine
SMILESC/C=C/CCCNO
InChIInChI=1S/C6H13NO/c1-2-3-4-5-6-7-8/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyYKBZIOPOFCKQOH-NSCUHMNNSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-hex-4-enyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-4-enyl]hydroxylamine?
The IUPAC name of N-[(E)-hex-4-enyl]hydroxylamine (CID 13493721) is N-[(E)-hex-4-enyl]hydroxylamine.
What is the SMILES notation for N-[(E)-hex-4-enyl]hydroxylamine?
The canonical SMILES for N-[(E)-hex-4-enyl]hydroxylamine is C/C=C/CCCNO.
What is the InChIKey of N-[(E)-hex-4-enyl]hydroxylamine?
The InChIKey is YKBZIOPOFCKQOH-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-4-5-6-7-8/h2-3,7-8H,4-6H2,1H3/b3-2+.
What are the key properties of N-[(E)-hex-4-enyl]hydroxylamine?
N-[(E)-hex-4-enyl]hydroxylamine has a molecular weight of 115.18 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-4-enyl]hydroxylamine is sourced from PubChem (CID 13493721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).