(4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate

C19H16N2O2 — CID 3532610

IUPAC(4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate
SMILESN#Cc1ccc(COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c20-11-14-5-7-15(8-6-14)13-23-19(22)10-9-16-12-21-18-4-2-1-3-17(16)18/h1-8,12,21H,9-10,13H2
InChIKeySKMPTZGRAZAJDL-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.72
Rot. Bonds5

About (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate

(4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate (PubChem CID 3532610) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate
PubChem CID3532610
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate
SMILESN#Cc1ccc(COC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c20-11-14-5-7-15(8-6-14)13-23-19(22)10-9-16-12-21-18-4-2-1-3-17(16)18/h1-8,12,21H,9-10,13H2
InChIKeySKMPTZGRAZAJDL-UHFFFAOYSA-N
XLogP3.72
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate (CID 3532610) is (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate is N#Cc1ccc(COC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is SKMPTZGRAZAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-11-14-5-7-15(8-6-14)13-23-19(22)10-9-16-12-21-18-4-2-1-3-17(16)18/h1-8,12,21H,9-10,13H2.
What are the key properties of (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate?
(4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 304.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 3532610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).