[(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium

C10H12ClN2+ — CID 6999079

IUPAC[(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,1-2H3/p+1/t10-/m0/s1
InChIKeyUWSLRLXBDMTSFR-JTQLQIEISA-O
MW195.67 g/mol
LogP1.05
Rot. Bonds2

About [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium

[(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium (PubChem CID 6999079) has the molecular formula C10H12ClN2+ and a molecular weight of 195.67 g/mol. Its IUPAC name is [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium.

Molecular Properties

Compound Name[(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium
PubChem CID6999079
Molecular FormulaC10H12ClN2+
Molecular Weight195.67 g/mol
Exact Mass195.07
IUPAC Name[(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,1-2H3/p+1/t10-/m0/s1
InChIKeyUWSLRLXBDMTSFR-JTQLQIEISA-O
XLogP1.05
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium?
The IUPAC name of [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium (CID 6999079) is [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium.
What is the SMILES notation for [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium?
The canonical SMILES for [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium is C[NH+](C)[C@@H](C#N)c1ccc(Cl)cc1.
What is the InChIKey of [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium?
The InChIKey is UWSLRLXBDMTSFR-JTQLQIEISA-O. The full InChI is InChI=1S/C10H11ClN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,1-2H3/p+1/t10-/m0/s1.
What are the key properties of [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium?
[(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium has a molecular weight of 195.67 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-chlorophenyl)-cyanomethyl]-dimethylazanium is sourced from PubChem (CID 6999079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).