(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one

C10H13NO2S — CID 89007069

IUPAC(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one
SMILESCCC(=O)CC/C(=N/O)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-2-8(12)5-6-9(11-13)10-4-3-7-14-10/h3-4,7,13H,2,5-6H2,1H3/b11-9-
InChIKeyTYMQYHPMIKXJQQ-LUAWRHEFSA-N
MW211.29 g/mol
LogP2.69
Rot. Bonds5

About (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one

(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one (PubChem CID 89007069) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one.

Molecular Properties

Compound Name(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one
PubChem CID89007069
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one
SMILESCCC(=O)CC/C(=N/O)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-2-8(12)5-6-9(11-13)10-4-3-7-14-10/h3-4,7,13H,2,5-6H2,1H3/b11-9-
InChIKeyTYMQYHPMIKXJQQ-LUAWRHEFSA-N
XLogP2.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine
CID 6340976
methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972617
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine
CID 71948509
acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine
CID 2833779
2-chloro-2-ethyl-1-thiophen-2-ylbutan-1-one
CID 45081139
N-ethylthiophene-2-carboximidoyl isocyanide
CID 20728939
N-(dithiophen-2-ylmethylidene)hydroxylamine
CID 2775140
4-(methylcarbamothioylhydrazinylidene)-4-thiophen-2-ylbutanoic acid
CID 4690416
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
butanoyl 4-oxo-4-thiophen-2-ylbutanoate
CID 174440154

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one?
The IUPAC name of (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one (CID 89007069) is (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one.
What is the SMILES notation for (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one?
The canonical SMILES for (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one is CCC(=O)CC/C(=N/O)c1cccs1.
What is the InChIKey of (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one?
The InChIKey is TYMQYHPMIKXJQQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-8(12)5-6-9(11-13)10-4-3-7-14-10/h3-4,7,13H,2,5-6H2,1H3/b11-9-.
What are the key properties of (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one?
(6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one has a molecular weight of 211.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-hydroxyimino-6-thiophen-2-ylhexan-3-one is sourced from PubChem (CID 89007069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).