ethenyl 4-amino-2-propylbenzoate

C12H15NO2 — CID 54077984

IUPACethenyl 4-amino-2-propylbenzoate
SMILESC=COC(=O)c1ccc(N)cc1CCC
InChIInChI=1S/C12H15NO2/c1-3-5-9-8-10(13)6-7-11(9)12(14)15-4-2/h4,6-8H,2-3,5,13H2,1H3
InChIKeyMLBDHZDPAJZQNQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.52
Rot. Bonds4

About ethenyl 4-amino-2-propylbenzoate

ethenyl 4-amino-2-propylbenzoate (PubChem CID 54077984) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethenyl 4-amino-2-propylbenzoate.

Molecular Properties

Compound Nameethenyl 4-amino-2-propylbenzoate
PubChem CID54077984
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethenyl 4-amino-2-propylbenzoate
SMILESC=COC(=O)c1ccc(N)cc1CCC
InChIInChI=1S/C12H15NO2/c1-3-5-9-8-10(13)6-7-11(9)12(14)15-4-2/h4,6-8H,2-3,5,13H2,1H3
InChIKeyMLBDHZDPAJZQNQ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethenyl 4-amino-2-hydroxybenzoate
CID 21423592
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
methyl 4-amino-2-(3-methoxy-3-oxopropyl)benzoate
CID 134648398
2-methylprop-2-enoyl 4-amino-2-ethylbenzoate
CID 175361524
4-amino-2-hexadecylbenzoic acid
CID 167455079
butyl 4-amino-2-methylbenzoate
CID 45089758
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
methyl 4-amino-2-(2-methoxy-2-oxoethyl)benzoate
CID 12616213
2-[4-amino-2-(2-hydroxyethyl)benzoyl]oxyethyl-diethyl-methylazanium
CID 20778759
3,3-dihydroxypropyl 4-amino-2-ethylbenzoate
CID 24782618
prop-2-enyl 2-acetyl-4-aminobenzoate
CID 70486883
ethyl 2-acetyl-4-aminobenzoate
CID 70477143

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-amino-2-propylbenzoate?
The IUPAC name of ethenyl 4-amino-2-propylbenzoate (CID 54077984) is ethenyl 4-amino-2-propylbenzoate.
What is the SMILES notation for ethenyl 4-amino-2-propylbenzoate?
The canonical SMILES for ethenyl 4-amino-2-propylbenzoate is C=COC(=O)c1ccc(N)cc1CCC.
What is the InChIKey of ethenyl 4-amino-2-propylbenzoate?
The InChIKey is MLBDHZDPAJZQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-5-9-8-10(13)6-7-11(9)12(14)15-4-2/h4,6-8H,2-3,5,13H2,1H3.
What are the key properties of ethenyl 4-amino-2-propylbenzoate?
ethenyl 4-amino-2-propylbenzoate has a molecular weight of 205.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-amino-2-propylbenzoate is sourced from PubChem (CID 54077984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).