ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane

C11H13NOS — CID 102292160

IUPACethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane
SMILESC=CCN=S(=O)(C=C)c1ccccc1
InChIInChI=1S/C11H13NOS/c1-3-10-12-14(13,4-2)11-8-6-5-7-9-11/h3-9H,1-2,10H2
InChIKeyFYMYFPNBDUZSQW-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.84
Rot. Bonds4

About ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane

ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane (PubChem CID 102292160) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane.

Molecular Properties

Compound Nameethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane
PubChem CID102292160
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Nameethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane
SMILESC=CCN=S(=O)(C=C)c1ccccc1
InChIInChI=1S/C11H13NOS/c1-3-10-12-14(13,4-2)11-8-6-5-7-9-11/h3-9H,1-2,10H2
InChIKeyFYMYFPNBDUZSQW-UHFFFAOYSA-N
XLogP2.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane?
The IUPAC name of ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane (CID 102292160) is ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane.
What is the SMILES notation for ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane?
The canonical SMILES for ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane is C=CCN=S(=O)(C=C)c1ccccc1.
What is the InChIKey of ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane?
The InChIKey is FYMYFPNBDUZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-10-12-14(13,4-2)11-8-6-5-7-9-11/h3-9H,1-2,10H2.
What are the key properties of ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane?
ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane has a molecular weight of 207.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-oxo-phenyl-prop-2-enylimino-λ6-sulfane is sourced from PubChem (CID 102292160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).