1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile

C10H10ClNOS — CID 130631207

IUPAC1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(O)c2ccsc2Cl)CCC1
InChIInChI=1S/C10H10ClNOS/c11-9-7(2-5-14-9)8(13)10(6-12)3-1-4-10/h2,5,8,13H,1,3-4H2
InChIKeyUVDXFVKKHCIARE-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.13
Rot. Bonds2

About 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile

1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile (PubChem CID 130631207) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile
PubChem CID130631207
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(O)c2ccsc2Cl)CCC1
InChIInChI=1S/C10H10ClNOS/c11-9-7(2-5-14-9)8(13)10(6-12)3-1-4-10/h2,5,8,13H,1,3-4H2
InChIKeyUVDXFVKKHCIARE-UHFFFAOYSA-N
XLogP3.13
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile (CID 130631207) is 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile is N#CC1(C(O)c2ccsc2Cl)CCC1.
What is the InChIKey of 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile?
The InChIKey is UVDXFVKKHCIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c11-9-7(2-5-14-9)8(13)10(6-12)3-1-4-10/h2,5,8,13H,1,3-4H2.
What are the key properties of 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile?
1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile has a molecular weight of 227.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorothiophen-3-yl)-hydroxymethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 130631207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).