(2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile

C14H12N2O2S — CID 160536439

IUPAC(2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile
SMILESCON=C1C=C/C(=C(/C#N)c2cccc(OC)c2)S1
InChIInChI=1S/C14H12N2O2S/c1-17-11-5-3-4-10(8-11)12(9-15)13-6-7-14(19-13)16-18-2/h3-8H,1-2H3/b13-12+,16-14?
InChIKeyQQGIMWCYBWZINH-AXFLHPKGSA-N
MW272.33 g/mol
LogP3.19
Rot. Bonds3

About (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile

(2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile (PubChem CID 160536439) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile
PubChem CID160536439
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile
SMILESCON=C1C=C/C(=C(/C#N)c2cccc(OC)c2)S1
InChIInChI=1S/C14H12N2O2S/c1-17-11-5-3-4-10(8-11)12(9-15)13-6-7-14(19-13)16-18-2/h3-8H,1-2H3/b13-12+,16-14?
InChIKeyQQGIMWCYBWZINH-AXFLHPKGSA-N
XLogP3.19
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 10035075
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1-(3-methoxyphenyl)ethylideneazanium
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2-(2-methylphenyl)-2-(5-propoxyiminothiophen-2-ylidene)acetonitrile
CID 87655437
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
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CID 122403772
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
(2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide
CID 135073789
3-(3-methoxybenzenecarboximidoyl)benzonitrile
CID 175142380
(4-cyanophenyl) 3-methoxybenzoate
CID 532539
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile?
The IUPAC name of (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile (CID 160536439) is (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile.
What is the SMILES notation for (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile?
The canonical SMILES for (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile is CON=C1C=C/C(=C(/C#N)c2cccc(OC)c2)S1.
What is the InChIKey of (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile?
The InChIKey is QQGIMWCYBWZINH-AXFLHPKGSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-11-5-3-4-10(8-11)12(9-15)13-6-7-14(19-13)16-18-2/h3-8H,1-2H3/b13-12+,16-14?.
What are the key properties of (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile?
(2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile has a molecular weight of 272.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-methoxyiminothiophen-2-ylidene)-2-(3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 160536439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).