(4-cyanophenyl)methyl 2-cyclopentylacetate

C15H17NO2 — CID 2405362

IUPAC(4-cyanophenyl)methyl 2-cyclopentylacetate
SMILESN#Cc1ccc(COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C15H17NO2/c16-10-13-5-7-14(8-6-13)11-18-15(17)9-12-3-1-2-4-12/h5-8,12H,1-4,9,11H2
InChIKeyPMPBNTBLHKBVRZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.18
Rot. Bonds4

About (4-cyanophenyl)methyl 2-cyclopentylacetate

(4-cyanophenyl)methyl 2-cyclopentylacetate (PubChem CID 2405362) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 2-cyclopentylacetate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 2-cyclopentylacetate
PubChem CID2405362
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4-cyanophenyl)methyl 2-cyclopentylacetate
SMILESN#Cc1ccc(COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C15H17NO2/c16-10-13-5-7-14(8-6-13)11-18-15(17)9-12-3-1-2-4-12/h5-8,12H,1-4,9,11H2
InChIKeyPMPBNTBLHKBVRZ-UHFFFAOYSA-N
XLogP3.18
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methoxy]-2-oxoethanesulfinate
CID 69304261
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
1,3-benzodioxol-5-ylmethyl 2-cyclopentylacetate
CID 55313867
(3-fluorophenyl)methyl 2-cyclopentylacetate
CID 78760193
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
cyanomethyl 2-cyclohexylacetate
CID 101408563
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
CID 68790675
benzyl 2-[1-[3-[(4-cyanobenzoyl)amino]-2-ethyl-3-methylbutanoyl]piperidin-4-yl]acetate
CID 54315206

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 2-cyclopentylacetate?
The IUPAC name of (4-cyanophenyl)methyl 2-cyclopentylacetate (CID 2405362) is (4-cyanophenyl)methyl 2-cyclopentylacetate.
What is the SMILES notation for (4-cyanophenyl)methyl 2-cyclopentylacetate?
The canonical SMILES for (4-cyanophenyl)methyl 2-cyclopentylacetate is N#Cc1ccc(COC(=O)CC2CCCC2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 2-cyclopentylacetate?
The InChIKey is PMPBNTBLHKBVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c16-10-13-5-7-14(8-6-13)11-18-15(17)9-12-3-1-2-4-12/h5-8,12H,1-4,9,11H2.
What are the key properties of (4-cyanophenyl)methyl 2-cyclopentylacetate?
(4-cyanophenyl)methyl 2-cyclopentylacetate has a molecular weight of 243.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 2-cyclopentylacetate is sourced from PubChem (CID 2405362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).