O-[(E)-4-phenylbut-2-enyl]hydroxylamine

C10H13NO — CID 14647066

IUPACO-[(E)-4-phenylbut-2-enyl]hydroxylamine
SMILESNOC/C=C/Cc1ccccc1
InChIInChI=1S/C10H13NO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-7H,8-9,11H2/b5-4+
InChIKeyULUXSRSWMJCFCK-SNAWJCMRSA-N
MW163.22 g/mol
LogP1.68
Rot. Bonds4

About O-[(E)-4-phenylbut-2-enyl]hydroxylamine

O-[(E)-4-phenylbut-2-enyl]hydroxylamine (PubChem CID 14647066) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is O-[(E)-4-phenylbut-2-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-4-phenylbut-2-enyl]hydroxylamine
PubChem CID14647066
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameO-[(E)-4-phenylbut-2-enyl]hydroxylamine
SMILESNOC/C=C/Cc1ccccc1
InChIInChI=1S/C10H13NO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-7H,8-9,11H2/b5-4+
InChIKeyULUXSRSWMJCFCK-SNAWJCMRSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
4-phenylbut-2-ene-1-thiol
CID 54126363
oxalate;bis(4-phenylbut-2-enoxyazanium)
CID 67770386
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
but-2-enylbenzene;prop-1-ene
CID 159250462
5-chloropent-2-enylbenzene
CID 79603176
CID 173481561
CID 173481561
carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
CID 173208197
but-2-enylbenzene;ethylbenzene
CID 162289742
(Z)-5-phenylpent-3-enenitrile
CID 102025898

Frequently Asked Questions

What is the IUPAC name of O-[(E)-4-phenylbut-2-enyl]hydroxylamine?
The IUPAC name of O-[(E)-4-phenylbut-2-enyl]hydroxylamine (CID 14647066) is O-[(E)-4-phenylbut-2-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-4-phenylbut-2-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-4-phenylbut-2-enyl]hydroxylamine is NOC/C=C/Cc1ccccc1.
What is the InChIKey of O-[(E)-4-phenylbut-2-enyl]hydroxylamine?
The InChIKey is ULUXSRSWMJCFCK-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-7H,8-9,11H2/b5-4+.
What are the key properties of O-[(E)-4-phenylbut-2-enyl]hydroxylamine?
O-[(E)-4-phenylbut-2-enyl]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-4-phenylbut-2-enyl]hydroxylamine is sourced from PubChem (CID 14647066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).