[(R)-cyano(phenyl)methyl] acetate

C10H9NO2 — CID 11041226

IUPAC[(R)-cyano(phenyl)methyl] acetate
SMILESCC(=O)O[C@@H](C#N)c1ccccc1
InChIInChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3/t10-/m0/s1
InChIKeyMUXDFYRMYMEGCM-JTQLQIEISA-N
MW175.19 g/mol
LogP1.81
Rot. Bonds2

About [(R)-cyano(phenyl)methyl] acetate

[(R)-cyano(phenyl)methyl] acetate (PubChem CID 11041226) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is [(R)-cyano(phenyl)methyl] acetate.

Molecular Properties

Compound Name[(R)-cyano(phenyl)methyl] acetate
PubChem CID11041226
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name[(R)-cyano(phenyl)methyl] acetate
SMILESCC(=O)O[C@@H](C#N)c1ccccc1
InChIInChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3/t10-/m0/s1
InChIKeyMUXDFYRMYMEGCM-JTQLQIEISA-N
XLogP1.81
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(R)-cyano(phenyl)methyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl acetate
CID 8785
Benzyl butyrate
CID 7650
1-Phenylethyl propionate
CID 8432
Benzyl isobutyrate
CID 7646
Benzyl propionate
CID 31219
1-Phenylethyl Acetate
CID 62341
alpha-Methylbenzyl formate
CID 346286
Benzyl crotonate, (E)-
CID 5356259
Benzyl methacrylate
CID 17236
O-Methylbenzyl acetate
CID 87085
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574

Frequently Asked Questions

What is the IUPAC name of [(R)-cyano(phenyl)methyl] acetate?
The IUPAC name of [(R)-cyano(phenyl)methyl] acetate (CID 11041226) is [(R)-cyano(phenyl)methyl] acetate.
What is the SMILES notation for [(R)-cyano(phenyl)methyl] acetate?
The canonical SMILES for [(R)-cyano(phenyl)methyl] acetate is CC(=O)O[C@@H](C#N)c1ccccc1.
What is the InChIKey of [(R)-cyano(phenyl)methyl] acetate?
The InChIKey is MUXDFYRMYMEGCM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3/t10-/m0/s1.
What are the key properties of [(R)-cyano(phenyl)methyl] acetate?
[(R)-cyano(phenyl)methyl] acetate has a molecular weight of 175.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyano(phenyl)methyl] acetate is sourced from PubChem (CID 11041226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).