prop-2-enyl 2-aminobenzoate

C10H11NO2 — CID 24116

IUPACprop-2-enyl 2-aminobenzoate
SMILESC=CCOC(=O)c1ccccc1N
InChIInChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
InChIKeyUCANFCXAKYMFGA-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.61
Rot. Bonds3

About prop-2-enyl 2-aminobenzoate

prop-2-enyl 2-aminobenzoate (PubChem CID 24116) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is prop-2-enyl 2-aminobenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-aminobenzoate
PubChem CID24116
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Nameprop-2-enyl 2-aminobenzoate
SMILESC=CCOC(=O)c1ccccc1N
InChIInChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
InChIKeyUCANFCXAKYMFGA-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anthranilic Acid
CID 227
Benzocaine
CID 2337
Methyl Anthranilate
CID 8635
Butyl 4-aminobenzoate
CID 2482
Methyl N-methylanthranilate
CID 6826
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
Ethyl 3-aminobenzoate
CID 11400
Risocaine
CID 7174

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-aminobenzoate?
The IUPAC name of prop-2-enyl 2-aminobenzoate (CID 24116) is prop-2-enyl 2-aminobenzoate.
What is the SMILES notation for prop-2-enyl 2-aminobenzoate?
The canonical SMILES for prop-2-enyl 2-aminobenzoate is C=CCOC(=O)c1ccccc1N.
What is the InChIKey of prop-2-enyl 2-aminobenzoate?
The InChIKey is UCANFCXAKYMFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2.
What are the key properties of prop-2-enyl 2-aminobenzoate?
prop-2-enyl 2-aminobenzoate has a molecular weight of 177.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-aminobenzoate is sourced from PubChem (CID 24116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).