2-(2-aminophenyl)prop-2-enenitrile

C9H8N2 — CID 89157716

IUPAC2-(2-aminophenyl)prop-2-enenitrile
SMILESC=C(C#N)c1ccccc1N
InChIInChI=1S/C9H8N2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5H,1,11H2
InChIKeyLAELREROCXOETM-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.81
Rot. Bonds1

About 2-(2-aminophenyl)prop-2-enenitrile

2-(2-aminophenyl)prop-2-enenitrile (PubChem CID 89157716) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(2-aminophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-aminophenyl)prop-2-enenitrile
PubChem CID89157716
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-(2-aminophenyl)prop-2-enenitrile
SMILESC=C(C#N)c1ccccc1N
InChIInChI=1S/C9H8N2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5H,1,11H2
InChIKeyLAELREROCXOETM-UHFFFAOYSA-N
XLogP1.81
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)prop-2-enenitrile?
The IUPAC name of 2-(2-aminophenyl)prop-2-enenitrile (CID 89157716) is 2-(2-aminophenyl)prop-2-enenitrile.
What is the SMILES notation for 2-(2-aminophenyl)prop-2-enenitrile?
The canonical SMILES for 2-(2-aminophenyl)prop-2-enenitrile is C=C(C#N)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)prop-2-enenitrile?
The InChIKey is LAELREROCXOETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5H,1,11H2.
What are the key properties of 2-(2-aminophenyl)prop-2-enenitrile?
2-(2-aminophenyl)prop-2-enenitrile has a molecular weight of 144.18 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)prop-2-enenitrile is sourced from PubChem (CID 89157716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).