methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate

C14H15NO2 — CID 86623628

IUPACmethyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1CCc2cc(C#N)c(C)cc21
InChIInChI=1S/C14H15NO2/c1-9-5-13-10(6-12(9)8-15)3-4-11(13)7-14(16)17-2/h5-6,11H,3-4,7H2,1-2H3
InChIKeyDPKOCSDUFYFWIQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.46
Rot. Bonds2

About methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate

methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 86623628) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID86623628
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1CCc2cc(C#N)c(C)cc21
InChIInChI=1S/C14H15NO2/c1-9-5-13-10(6-12(9)8-15)3-4-11(13)7-14(16)17-2/h5-6,11H,3-4,7H2,1-2H3
InChIKeyDPKOCSDUFYFWIQ-UHFFFAOYSA-N
XLogP2.46
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate (CID 86623628) is methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate is COC(=O)CC1CCc2cc(C#N)c(C)cc21.
What is the InChIKey of methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is DPKOCSDUFYFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-5-13-10(6-12(9)8-15)3-4-11(13)7-14(16)17-2/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 229.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-cyano-6-methyl-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 86623628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).