(Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile

C8H10ClNS — CID 19771903

IUPAC(Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile
SMILESN#C/C(Cl)=C/SC1CCCC1
InChIInChI=1S/C8H10ClNS/c9-7(5-10)6-11-8-3-1-2-4-8/h6,8H,1-4H2/b7-6-
InChIKeyYMHHEQYUVUYZDY-SREVYHEPSA-N
MW187.69 g/mol
LogP3.27
Rot. Bonds2

About (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile

(Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile (PubChem CID 19771903) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile
PubChem CID19771903
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name(Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile
SMILESN#C/C(Cl)=C/SC1CCCC1
InChIInChI=1S/C8H10ClNS/c9-7(5-10)6-11-8-3-1-2-4-8/h6,8H,1-4H2/b7-6-
InChIKeyYMHHEQYUVUYZDY-SREVYHEPSA-N
XLogP3.27
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile?
The IUPAC name of (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile (CID 19771903) is (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile?
The canonical SMILES for (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile is N#C/C(Cl)=C/SC1CCCC1.
What is the InChIKey of (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile?
The InChIKey is YMHHEQYUVUYZDY-SREVYHEPSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-7(5-10)6-11-8-3-1-2-4-8/h6,8H,1-4H2/b7-6-.
What are the key properties of (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile?
(Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile has a molecular weight of 187.69 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-3-cyclopentylsulfanylprop-2-enenitrile is sourced from PubChem (CID 19771903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).