O-[(E)-pent-3-enyl]hydroxylamine

C5H11NO — CID 87591306

IUPACO-[(E)-pent-3-enyl]hydroxylamine
SMILESC/C=C/CCON
InChIInChI=1S/C5H11NO/c1-2-3-4-5-7-6/h2-3H,4-6H2,1H3/b3-2+
InChIKeySXDVLZMQHVVJTL-NSCUHMNNSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds3

About O-[(E)-pent-3-enyl]hydroxylamine

O-[(E)-pent-3-enyl]hydroxylamine (PubChem CID 87591306) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is O-[(E)-pent-3-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-pent-3-enyl]hydroxylamine
PubChem CID87591306
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameO-[(E)-pent-3-enyl]hydroxylamine
SMILESC/C=C/CCON
InChIInChI=1S/C5H11NO/c1-2-3-4-5-7-6/h2-3H,4-6H2,1H3/b3-2+
InChIKeySXDVLZMQHVVJTL-NSCUHMNNSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.84
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-[(E)-pent-3-enyl]hydroxylamine?
The IUPAC name of O-[(E)-pent-3-enyl]hydroxylamine (CID 87591306) is O-[(E)-pent-3-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-pent-3-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-pent-3-enyl]hydroxylamine is C/C=C/CCON.
What is the InChIKey of O-[(E)-pent-3-enyl]hydroxylamine?
The InChIKey is SXDVLZMQHVVJTL-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-3-4-5-7-6/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of O-[(E)-pent-3-enyl]hydroxylamine?
O-[(E)-pent-3-enyl]hydroxylamine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-pent-3-enyl]hydroxylamine is sourced from PubChem (CID 87591306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).