4-(methoxymethyl)thiophene-3-carbonitrile

C7H7NOS — CID 82416850

IUPAC4-(methoxymethyl)thiophene-3-carbonitrile
SMILESCOCc1cscc1C#N
InChIInChI=1S/C7H7NOS/c1-9-3-7-5-10-4-6(7)2-8/h4-5H,3H2,1H3
InChIKeyKXHPBYOPNCBSHV-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.77
Rot. Bonds2

About 4-(methoxymethyl)thiophene-3-carbonitrile

4-(methoxymethyl)thiophene-3-carbonitrile (PubChem CID 82416850) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 4-(methoxymethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)thiophene-3-carbonitrile
PubChem CID82416850
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name4-(methoxymethyl)thiophene-3-carbonitrile
SMILESCOCc1cscc1C#N
InChIInChI=1S/C7H7NOS/c1-9-3-7-5-10-4-6(7)2-8/h4-5H,3H2,1H3
InChIKeyKXHPBYOPNCBSHV-UHFFFAOYSA-N
XLogP1.77
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]thiophene-3-carbonitrile
CID 119084949
[4-(methoxymethyl)thiophen-3-yl]methanamine
CID 82415876
5-amino-4-fluoro-2-(methoxymethyl)benzonitrile
CID 125426880
4-(aminomethyl)-2-(methoxymethyl)benzonitrile
CID 58079864
8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
CID 117293182
2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile
CID 117284978
5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile
CID 117284977
4-aminothiophene-3-carbonitrile
CID 14618477
4-fluorothiophene-3-carbonitrile
CID 121229191
5-(methoxymethyl)-6-methyl-2-(methylamino)pyridine-3-carbonitrile
CID 62198399
ethane;methyl 4-cyano-3-(methoxymethyl)benzoate
CID 144882044
5-(2-methoxy-3-methylbut-2-enyl)benzene-1,2,4-tricarbonitrile
CID 10800748

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)thiophene-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)thiophene-3-carbonitrile (CID 82416850) is 4-(methoxymethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)thiophene-3-carbonitrile is COCc1cscc1C#N.
What is the InChIKey of 4-(methoxymethyl)thiophene-3-carbonitrile?
The InChIKey is KXHPBYOPNCBSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-9-3-7-5-10-4-6(7)2-8/h4-5H,3H2,1H3.
What are the key properties of 4-(methoxymethyl)thiophene-3-carbonitrile?
4-(methoxymethyl)thiophene-3-carbonitrile has a molecular weight of 153.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 82416850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).