2-(2-cyanophenyl)ethyl formate

C10H9NO2 — CID 87149714

IUPAC2-(2-cyanophenyl)ethyl formate
SMILESN#Cc1ccccc1CCOC=O
InChIInChI=1S/C10H9NO2/c11-7-10-4-2-1-3-9(10)5-6-13-8-12/h1-4,8H,5-6H2
InChIKeyIUJQPFSLVNOREM-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.27
Rot. Bonds4

About 2-(2-cyanophenyl)ethyl formate

2-(2-cyanophenyl)ethyl formate (PubChem CID 87149714) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(2-cyanophenyl)ethyl formate.

Molecular Properties

Compound Name2-(2-cyanophenyl)ethyl formate
PubChem CID87149714
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(2-cyanophenyl)ethyl formate
SMILESN#Cc1ccccc1CCOC=O
InChIInChI=1S/C10H9NO2/c11-7-10-4-2-1-3-9(10)5-6-13-8-12/h1-4,8H,5-6H2
InChIKeyIUJQPFSLVNOREM-UHFFFAOYSA-N
XLogP1.27
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)ethyl formate?
The IUPAC name of 2-(2-cyanophenyl)ethyl formate (CID 87149714) is 2-(2-cyanophenyl)ethyl formate.
What is the SMILES notation for 2-(2-cyanophenyl)ethyl formate?
The canonical SMILES for 2-(2-cyanophenyl)ethyl formate is N#Cc1ccccc1CCOC=O.
What is the InChIKey of 2-(2-cyanophenyl)ethyl formate?
The InChIKey is IUJQPFSLVNOREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-7-10-4-2-1-3-9(10)5-6-13-8-12/h1-4,8H,5-6H2.
What are the key properties of 2-(2-cyanophenyl)ethyl formate?
2-(2-cyanophenyl)ethyl formate has a molecular weight of 175.19 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)ethyl formate is sourced from PubChem (CID 87149714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).