N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide

C9H11NO3S — CID 177386702

IUPACN-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide
SMILESC=CCOC(/C=[N+](\[O-])O)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-2-5-13-8(7-10(11)12)9-4-3-6-14-9/h2-4,6-8H,1,5H2,(H,11,12)
InChIKeyWBRUNQRYNMUAEJ-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.96
Rot. Bonds5

About N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide

N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide (PubChem CID 177386702) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide.

Molecular Properties

Compound NameN-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide
PubChem CID177386702
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide
SMILESC=CCOC(/C=[N+](\[O-])O)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-2-5-13-8(7-10(11)12)9-4-3-6-14-9/h2-4,6-8H,1,5H2,(H,11,12)
InChIKeyWBRUNQRYNMUAEJ-UHFFFAOYSA-N
XLogP1.96
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoxy-2-thiophen-2-ylacetonitrile oxide
CID 100949911
1-thiophen-2-ylprop-2-enyl hydrogen carbonate
CID 101142664
(1R)-2-nitro-1-thiophen-2-ylethanol
CID 687342
2-[1-(2-bromoprop-2-enoxy)but-3-enyl]thiophene
CID 102413478
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
1-amino-1-thiophen-2-ylpent-4-en-2-one
CID 116601434
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
2-buta-1,3-dien-2-ylthiophene
CID 58963888
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
tert-butyl-dimethyl-[(1S)-1-thiophen-2-ylprop-2-enoxy]silane
CID 102114871
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2-[(1R)-1-[(1R)-1-thiophen-2-ylprop-2-enyl]sulfanylprop-2-enyl]thiophene
CID 141305059

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide?
The IUPAC name of N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide (CID 177386702) is N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide.
What is the SMILES notation for N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide?
The canonical SMILES for N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide is C=CCOC(/C=[N+](\[O-])O)c1cccs1.
What is the InChIKey of N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide?
The InChIKey is WBRUNQRYNMUAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-2-5-13-8(7-10(11)12)9-4-3-6-14-9/h2-4,6-8H,1,5H2,(H,11,12).
What are the key properties of N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide?
N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide has a molecular weight of 213.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-prop-2-enoxy-2-thiophen-2-ylethanimine oxide is sourced from PubChem (CID 177386702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).