pent-3-enyl 2-aminobenzoate

C12H15NO2 — CID 85151102

IUPACpent-3-enyl 2-aminobenzoate
SMILESCC=CCCOC(=O)c1ccccc1N
InChIInChI=1S/C12H15NO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h2-5,7-8H,6,9,13H2,1H3
InChIKeyLPAFXWJNRYANPN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.39
Rot. Bonds4

About pent-3-enyl 2-aminobenzoate

pent-3-enyl 2-aminobenzoate (PubChem CID 85151102) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is pent-3-enyl 2-aminobenzoate.

Molecular Properties

Compound Namepent-3-enyl 2-aminobenzoate
PubChem CID85151102
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namepent-3-enyl 2-aminobenzoate
SMILESCC=CCCOC(=O)c1ccccc1N
InChIInChI=1S/C12H15NO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h2-5,7-8H,6,9,13H2,1H3
InChIKeyLPAFXWJNRYANPN-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl 2-aminobenzoate
CID 61278385
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
2-amino-N-[(E)-pent-3-enyl]benzamide
CID 115976398
dodecyl 2-aminobenzoate
CID 5095316
2-(3-methylbutoxy)ethyl 2-aminobenzoate
CID 54956515
3-hydroxypentyl 2-aminobenzoate
CID 141469821
methylsulfanylmethyl 2-aminobenzoate
CID 67665029
2-[2-[[6-[2-[2-(2-aminobenzoyl)oxyethoxy]ethylamino]-6-oxohexanoyl]amino]ethoxy]ethyl 2-aminobenzoate
CID 70585208
[4-(4-aminophenyl)-4-oxobutyl] 2-aminobenzoate
CID 163539120
1-O-heptyl 2-O-[(E)-hex-3-enyl] benzene-1,2-dicarboxylate
CID 91719883
[10-[8-(2-aminobenzoyl)oxyoctyl]-9-nonylnonadecyl] 2-aminobenzoate
CID 11468402

Frequently Asked Questions

What is the IUPAC name of pent-3-enyl 2-aminobenzoate?
The IUPAC name of pent-3-enyl 2-aminobenzoate (CID 85151102) is pent-3-enyl 2-aminobenzoate.
What is the SMILES notation for pent-3-enyl 2-aminobenzoate?
The canonical SMILES for pent-3-enyl 2-aminobenzoate is CC=CCCOC(=O)c1ccccc1N.
What is the InChIKey of pent-3-enyl 2-aminobenzoate?
The InChIKey is LPAFXWJNRYANPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h2-5,7-8H,6,9,13H2,1H3.
What are the key properties of pent-3-enyl 2-aminobenzoate?
pent-3-enyl 2-aminobenzoate has a molecular weight of 205.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enyl 2-aminobenzoate is sourced from PubChem (CID 85151102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).