(E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide

C10H9N3O2S — CID 135541639

IUPAC(E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCO/N=C/NC(=O)/C(C#N)=C/c1cccs1
InChIInChI=1S/C10H9N3O2S/c1-15-13-7-12-10(14)8(6-11)5-9-3-2-4-16-9/h2-5,7H,1H3,(H,12,13,14)/b8-5+
InChIKeyLTYRPCYRYGHODV-VMPITWQZSA-N
MW235.27 g/mol
LogP1.36
Rot. Bonds4

About (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide

(E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 135541639) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID135541639
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name(E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCO/N=C/NC(=O)/C(C#N)=C/c1cccs1
InChIInChI=1S/C10H9N3O2S/c1-15-13-7-12-10(14)8(6-11)5-9-3-2-4-16-9/h2-5,7H,1H3,(H,12,13,14)/b8-5+
InChIKeyLTYRPCYRYGHODV-VMPITWQZSA-N
XLogP1.36
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(hydroxyiminomethyl)-3-thiophen-2-ylprop-2-enamide
CID 135428328
methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
CID 968615
(E)-2-cyano-N-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 10739641
(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171872
(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl chloride
CID 15335281
(E)-2-cyano-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2362469
(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2688672
2-cyano-N-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 4504662
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
2-cyano-N-octyl-3-thiophen-2-ylprop-2-enamide
CID 5109316
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 7912255
(E)-2-cyano-N-(2-iodophenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171871

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide (CID 135541639) is (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide is CO/N=C/NC(=O)/C(C#N)=C/c1cccs1.
What is the InChIKey of (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LTYRPCYRYGHODV-VMPITWQZSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-15-13-7-12-10(14)8(6-11)5-9-3-2-4-16-9/h2-5,7H,1H3,(H,12,13,14)/b8-5+.
What are the key properties of (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 235.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-[(E)-methoxyiminomethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 135541639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).