(Z)-3-(4-aminophenyl)prop-2-enoic acid

C9H9NO2 — CID 2302943

IUPAC(Z)-3-(4-aminophenyl)prop-2-enoic acid
SMILESNc1ccc(/C=C\C(=O)O)cc1
InChIInChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3-
InChIKeyJOLPMPPNHIACPD-UTCJRWHESA-N
MW163.18 g/mol
LogP1.37
Rot. Bonds2

About (Z)-3-(4-aminophenyl)prop-2-enoic acid

(Z)-3-(4-aminophenyl)prop-2-enoic acid (PubChem CID 2302943) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (Z)-3-(4-aminophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-aminophenyl)prop-2-enoic acid
PubChem CID2302943
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(Z)-3-(4-aminophenyl)prop-2-enoic acid
SMILESNc1ccc(/C=C\C(=O)O)cc1
InChIInChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3-
InChIKeyJOLPMPPNHIACPD-UTCJRWHESA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-aminophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-aminophenyl)prop-2-enoic acid (CID 2302943) is (Z)-3-(4-aminophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-aminophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-aminophenyl)prop-2-enoic acid is Nc1ccc(/C=C\C(=O)O)cc1.
What is the InChIKey of (Z)-3-(4-aminophenyl)prop-2-enoic acid?
The InChIKey is JOLPMPPNHIACPD-UTCJRWHESA-N. The full InChI is InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3-.
What are the key properties of (Z)-3-(4-aminophenyl)prop-2-enoic acid?
(Z)-3-(4-aminophenyl)prop-2-enoic acid has a molecular weight of 163.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-aminophenyl)prop-2-enoic acid is sourced from PubChem (CID 2302943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).