(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate

C12H13NO3S — CID 75524000

IUPAC(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate
SMILESCOC1CCCC1OC(=O)c1sccc1C#N
InChIInChI=1S/C12H13NO3S/c1-15-9-3-2-4-10(9)16-12(14)11-8(7-13)5-6-17-11/h5-6,9-10H,2-4H2,1H3
InChIKeyZRHAPVYAQRGUFZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.34
Rot. Bonds3

About (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate

(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate (PubChem CID 75524000) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate.

Molecular Properties

Compound Name(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate
PubChem CID75524000
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate
SMILESCOC1CCCC1OC(=O)c1sccc1C#N
InChIInChI=1S/C12H13NO3S/c1-15-9-3-2-4-10(9)16-12(14)11-8(7-13)5-6-17-11/h5-6,9-10H,2-4H2,1H3
InChIKeyZRHAPVYAQRGUFZ-UHFFFAOYSA-N
XLogP2.34
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate?
The IUPAC name of (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate (CID 75524000) is (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate.
What is the SMILES notation for (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate?
The canonical SMILES for (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate is COC1CCCC1OC(=O)c1sccc1C#N.
What is the InChIKey of (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate?
The InChIKey is ZRHAPVYAQRGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-15-9-3-2-4-10(9)16-12(14)11-8(7-13)5-6-17-11/h5-6,9-10H,2-4H2,1H3.
What are the key properties of (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate?
(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate is sourced from PubChem (CID 75524000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).