1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile

C11H13NOS — CID 130513305

IUPAC1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C(C)(O)C2(C#N)CC2)s1
InChIInChI=1S/C11H13NOS/c1-8-3-4-9(14-8)10(2,13)11(7-12)5-6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyNMNYIVPZOPHDSY-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.57
Rot. Bonds2

About 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile

1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile (PubChem CID 130513305) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile
PubChem CID130513305
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C(C)(O)C2(C#N)CC2)s1
InChIInChI=1S/C11H13NOS/c1-8-3-4-9(14-8)10(2,13)11(7-12)5-6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyNMNYIVPZOPHDSY-UHFFFAOYSA-N
XLogP2.57
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile (CID 130513305) is 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile is Cc1ccc(C(C)(O)C2(C#N)CC2)s1.
What is the InChIKey of 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile?
The InChIKey is NMNYIVPZOPHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8-3-4-9(14-8)10(2,13)11(7-12)5-6-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile?
1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130513305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).