(4-prop-2-enylanilino) acetate

C11H13NO2 — CID 57064388

IUPAC(4-prop-2-enylanilino) acetate
SMILESC=CCc1ccc(NOC(C)=O)cc1
InChIInChI=1S/C11H13NO2/c1-3-4-10-5-7-11(8-6-10)12-14-9(2)13/h3,5-8,12H,1,4H2,2H3
InChIKeyFOSCFNIJHPMGED-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.31
Rot. Bonds4

About (4-prop-2-enylanilino) acetate

(4-prop-2-enylanilino) acetate (PubChem CID 57064388) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4-prop-2-enylanilino) acetate.

Molecular Properties

Compound Name(4-prop-2-enylanilino) acetate
PubChem CID57064388
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4-prop-2-enylanilino) acetate
SMILESC=CCc1ccc(NOC(C)=O)cc1
InChIInChI=1S/C11H13NO2/c1-3-4-10-5-7-11(8-6-10)12-14-9(2)13/h3,5-8,12H,1,4H2,2H3
InChIKeyFOSCFNIJHPMGED-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enylanilino) acetate?
The IUPAC name of (4-prop-2-enylanilino) acetate (CID 57064388) is (4-prop-2-enylanilino) acetate.
What is the SMILES notation for (4-prop-2-enylanilino) acetate?
The canonical SMILES for (4-prop-2-enylanilino) acetate is C=CCc1ccc(NOC(C)=O)cc1.
What is the InChIKey of (4-prop-2-enylanilino) acetate?
The InChIKey is FOSCFNIJHPMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-4-10-5-7-11(8-6-10)12-14-9(2)13/h3,5-8,12H,1,4H2,2H3.
What are the key properties of (4-prop-2-enylanilino) acetate?
(4-prop-2-enylanilino) acetate has a molecular weight of 191.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enylanilino) acetate is sourced from PubChem (CID 57064388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).