prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate

C9H11NO2S — CID 173458848

IUPACprop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate
SMILESC=CCOC(Cc1cccs1)=NO
InChIInChI=1S/C9H11NO2S/c1-2-5-12-9(10-11)7-8-4-3-6-13-8/h2-4,6,11H,1,5,7H2
InChIKeyVOKMZQIUQSZNJQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.28
Rot. Bonds4

About prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate

prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate (PubChem CID 173458848) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate.

Molecular Properties

Compound Nameprop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate
PubChem CID173458848
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameprop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate
SMILESC=CCOC(Cc1cccs1)=NO
InChIInChI=1S/C9H11NO2S/c1-2-5-12-9(10-11)7-8-4-3-6-13-8/h2-4,6,11H,1,5,7H2
InChIKeyVOKMZQIUQSZNJQ-UHFFFAOYSA-N
XLogP2.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol
CID 20542333
N'-ethyl-2-thiophen-2-ylethanimidamide
CID 63181752
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
4-thiophen-2-yl-3-(thiophen-2-ylmethyl)but-2-enal
CID 174942230
N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide
CID 63181895
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
CID 79275664
(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one
CID 103447426
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
2-(ethenylsulfanylmethyl)thiophene
CID 19076101
3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
CID 82395020
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate?
The IUPAC name of prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate (CID 173458848) is prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate.
What is the SMILES notation for prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate?
The canonical SMILES for prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate is C=CCOC(Cc1cccs1)=NO.
What is the InChIKey of prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate?
The InChIKey is VOKMZQIUQSZNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-5-12-9(10-11)7-8-4-3-6-13-8/h2-4,6,11H,1,5,7H2.
What are the key properties of prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate?
prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate has a molecular weight of 197.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-hydroxy-2-thiophen-2-ylethanimidate is sourced from PubChem (CID 173458848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).