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

C10H11NOS — CID 130513221

IUPAC1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C(O)C2(C#N)CC2)s1
InChIInChI=1S/C10H11NOS/c1-7-2-3-8(13-7)9(12)10(6-11)4-5-10/h2-3,9,12H,4-5H2,1H3
InChIKeyLCLCBJKEDIVTKK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.39
Rot. Bonds2

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

1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 130513221) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID130513221
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(C(O)C2(C#N)CC2)s1
InChIInChI=1S/C10H11NOS/c1-7-2-3-8(13-7)9(12)10(6-11)4-5-10/h2-3,9,12H,4-5H2,1H3
InChIKeyLCLCBJKEDIVTKK-UHFFFAOYSA-N
XLogP2.39
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile (CID 130513221) is 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile is Cc1ccc(C(O)C2(C#N)CC2)s1.
What is the InChIKey of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is LCLCBJKEDIVTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-2-3-8(13-7)9(12)10(6-11)4-5-10/h2-3,9,12H,4-5H2,1H3.
What are the key properties of 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130513221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).