phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate

C15H15NO3S — CID 88702151

IUPACphenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate
SMILESO=C(Oc1ccccc1)/C(CCCc1cccs1)=N\O
InChIInChI=1S/C15H15NO3S/c17-15(19-12-6-2-1-3-7-12)14(16-18)10-4-8-13-9-5-11-20-13/h1-3,5-7,9,11,18H,4,8,10H2/b16-14-
InChIKeyASVAUYLNXNLEKQ-PEZBUJJGSA-N
MW289.36 g/mol
LogP3.51
Rot. Bonds6

About phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate

phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate (PubChem CID 88702151) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate.

Molecular Properties

Compound Namephenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate
PubChem CID88702151
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namephenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate
SMILESO=C(Oc1ccccc1)/C(CCCc1cccs1)=N\O
InChIInChI=1S/C15H15NO3S/c17-15(19-12-6-2-1-3-7-12)14(16-18)10-4-8-13-9-5-11-20-13/h1-3,5-7,9,11,18H,4,8,10H2/b16-14-
InChIKeyASVAUYLNXNLEKQ-PEZBUJJGSA-N
XLogP3.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-thiophen-2-ylbutanoate
CID 78759392
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
2-phenylethyl 4-thiophen-2-ylbutanoate
CID 78830677
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
(3-acetylphenyl) 4-thiophen-2-ylbutanoate
CID 86975484
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
6-thiophen-2-ylhexanamide
CID 137320292
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
CID 9219783
benzyl 2-(4-thiophen-2-ylbutanoylamino)acetate
CID 7980390
N-[dimethoxy(phenyl)methyl]-4-thiophen-2-ylbutanamide
CID 118472387
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616

Frequently Asked Questions

What is the IUPAC name of phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate?
The IUPAC name of phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate (CID 88702151) is phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate.
What is the SMILES notation for phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate?
The canonical SMILES for phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate is O=C(Oc1ccccc1)/C(CCCc1cccs1)=N\O.
What is the InChIKey of phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate?
The InChIKey is ASVAUYLNXNLEKQ-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(19-12-6-2-1-3-7-12)14(16-18)10-4-8-13-9-5-11-20-13/h1-3,5-7,9,11,18H,4,8,10H2/b16-14-.
What are the key properties of phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate?
phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate has a molecular weight of 289.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2Z)-2-hydroxyimino-5-thiophen-2-ylpentanoate is sourced from PubChem (CID 88702151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).