3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile

C16H10N2O2S — CID 95166417

IUPAC3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile
SMILESCc1oc2cc(C#N)c(C#N)cc2c1[C@@H](O)c1cccs1
InChIInChI=1S/C16H10N2O2S/c1-9-15(16(19)14-3-2-4-21-14)12-5-10(7-17)11(8-18)6-13(12)20-9/h2-6,16,19H,1H3/t16-/m0/s1
InChIKeyOAAVAXZITWGYMD-INIZCTEOSA-N
MW294.34 g/mol
LogP3.63
Rot. Bonds2

About 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile

3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile (PubChem CID 95166417) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile.

Molecular Properties

Compound Name3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile
PubChem CID95166417
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile
SMILESCc1oc2cc(C#N)c(C#N)cc2c1[C@@H](O)c1cccs1
InChIInChI=1S/C16H10N2O2S/c1-9-15(16(19)14-3-2-4-21-14)12-5-10(7-17)11(8-18)6-13(12)20-9/h2-6,16,19H,1H3/t16-/m0/s1
InChIKeyOAAVAXZITWGYMD-INIZCTEOSA-N
XLogP3.63
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile?
The IUPAC name of 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile (CID 95166417) is 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile.
What is the SMILES notation for 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile?
The canonical SMILES for 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile is Cc1oc2cc(C#N)c(C#N)cc2c1[C@@H](O)c1cccs1.
What is the InChIKey of 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile?
The InChIKey is OAAVAXZITWGYMD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H10N2O2S/c1-9-15(16(19)14-3-2-4-21-14)12-5-10(7-17)11(8-18)6-13(12)20-9/h2-6,16,19H,1H3/t16-/m0/s1.
What are the key properties of 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile?
3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile has a molecular weight of 294.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile is sourced from PubChem (CID 95166417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).