1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile

C8H6ClNS — CID 53488040

IUPAC1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)s2)CC1
InChIInChI=1S/C8H6ClNS/c9-7-2-1-6(11-7)8(5-10)3-4-8/h1-2H,3-4H2
InChIKeyKHMYZYTYFJWNRP-UHFFFAOYSA-N
MW183.66 g/mol
LogP2.96
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile

1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile (PubChem CID 53488040) has the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile
PubChem CID53488040
Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
Exact Mass182.99
IUPAC Name1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)s2)CC1
InChIInChI=1S/C8H6ClNS/c9-7-2-1-6(11-7)8(5-10)3-4-8/h1-2H,3-4H2
InChIKeyKHMYZYTYFJWNRP-UHFFFAOYSA-N
XLogP2.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile (CID 53488040) is 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile is N#CC1(c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is KHMYZYTYFJWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS/c9-7-2-1-6(11-7)8(5-10)3-4-8/h1-2H,3-4H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile?
1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 183.66 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 53488040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).