2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile

C12H12N2OS — CID 171475664

IUPAC2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile
SMILESN#CC1(C#N)C(O)CCCC1c1cccs1
InChIInChI=1S/C12H12N2OS/c13-7-12(8-14)9(3-1-5-11(12)15)10-4-2-6-16-10/h2,4,6,9,11,15H,1,3,5H2
InChIKeyOFMHPDLFJQCRPD-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.41
Rot. Bonds1

About 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile

2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile (PubChem CID 171475664) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile
PubChem CID171475664
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile
SMILESN#CC1(C#N)C(O)CCCC1c1cccs1
InChIInChI=1S/C12H12N2OS/c13-7-12(8-14)9(3-1-5-11(12)15)10-4-2-6-16-10/h2,4,6,9,11,15H,1,3,5H2
InChIKeyOFMHPDLFJQCRPD-UHFFFAOYSA-N
XLogP2.41
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile?
The IUPAC name of 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile (CID 171475664) is 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile.
What is the SMILES notation for 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile?
The canonical SMILES for 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile is N#CC1(C#N)C(O)CCCC1c1cccs1.
What is the InChIKey of 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile?
The InChIKey is OFMHPDLFJQCRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-7-12(8-14)9(3-1-5-11(12)15)10-4-2-6-16-10/h2,4,6,9,11,15H,1,3,5H2.
What are the key properties of 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile?
2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile has a molecular weight of 232.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-thiophen-2-ylcyclohexane-1,1-dicarbonitrile is sourced from PubChem (CID 171475664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).