prop-1-en-2-yl 2-(benzylideneamino)acetate

C12H13NO2 — CID 89150054

IUPACprop-1-en-2-yl 2-(benzylideneamino)acetate
SMILESC=C(C)OC(=O)C/N=C/c1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(2)15-12(14)9-13-8-11-6-4-3-5-7-11/h3-8H,1,9H2,2H3/b13-8+
InChIKeyJSVNLAOFTARJAO-MDWZMJQESA-N
MW203.24 g/mol
LogP2.18
Rot. Bonds4

About prop-1-en-2-yl 2-(benzylideneamino)acetate

prop-1-en-2-yl 2-(benzylideneamino)acetate (PubChem CID 89150054) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is prop-1-en-2-yl 2-(benzylideneamino)acetate.

Molecular Properties

Compound Nameprop-1-en-2-yl 2-(benzylideneamino)acetate
PubChem CID89150054
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameprop-1-en-2-yl 2-(benzylideneamino)acetate
SMILESC=C(C)OC(=O)C/N=C/c1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(2)15-12(14)9-13-8-11-6-4-3-5-7-11/h3-8H,1,9H2,2H3/b13-8+
InChIKeyJSVNLAOFTARJAO-MDWZMJQESA-N
XLogP2.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 2-(benzylideneamino)acetate?
The IUPAC name of prop-1-en-2-yl 2-(benzylideneamino)acetate (CID 89150054) is prop-1-en-2-yl 2-(benzylideneamino)acetate.
What is the SMILES notation for prop-1-en-2-yl 2-(benzylideneamino)acetate?
The canonical SMILES for prop-1-en-2-yl 2-(benzylideneamino)acetate is C=C(C)OC(=O)C/N=C/c1ccccc1.
What is the InChIKey of prop-1-en-2-yl 2-(benzylideneamino)acetate?
The InChIKey is JSVNLAOFTARJAO-MDWZMJQESA-N. The full InChI is InChI=1S/C12H13NO2/c1-10(2)15-12(14)9-13-8-11-6-4-3-5-7-11/h3-8H,1,9H2,2H3/b13-8+.
What are the key properties of prop-1-en-2-yl 2-(benzylideneamino)acetate?
prop-1-en-2-yl 2-(benzylideneamino)acetate has a molecular weight of 203.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 2-(benzylideneamino)acetate is sourced from PubChem (CID 89150054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).