propan-2-yl 2-(benzylideneamino)propanoate

C13H17NO2 — CID 4209985

IUPACpropan-2-yl 2-(benzylideneamino)propanoate
SMILESCC(C)OC(=O)C(C)/N=C/c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)16-13(15)11(3)14-9-12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9+
InChIKeyCIPXTHFLBCICPJ-NTEUORMPSA-N
MW219.28 g/mol
LogP2.45
Rot. Bonds4

About propan-2-yl 2-(benzylideneamino)propanoate

propan-2-yl 2-(benzylideneamino)propanoate (PubChem CID 4209985) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is propan-2-yl 2-(benzylideneamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(benzylideneamino)propanoate
PubChem CID4209985
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepropan-2-yl 2-(benzylideneamino)propanoate
SMILESCC(C)OC(=O)C(C)/N=C/c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)16-13(15)11(3)14-9-12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9+
InChIKeyCIPXTHFLBCICPJ-NTEUORMPSA-N
XLogP2.45
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(benzylideneamino)propanoate?
The IUPAC name of propan-2-yl 2-(benzylideneamino)propanoate (CID 4209985) is propan-2-yl 2-(benzylideneamino)propanoate.
What is the SMILES notation for propan-2-yl 2-(benzylideneamino)propanoate?
The canonical SMILES for propan-2-yl 2-(benzylideneamino)propanoate is CC(C)OC(=O)C(C)/N=C/c1ccccc1.
What is the InChIKey of propan-2-yl 2-(benzylideneamino)propanoate?
The InChIKey is CIPXTHFLBCICPJ-NTEUORMPSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)16-13(15)11(3)14-9-12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9+.
What are the key properties of propan-2-yl 2-(benzylideneamino)propanoate?
propan-2-yl 2-(benzylideneamino)propanoate has a molecular weight of 219.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(benzylideneamino)propanoate is sourced from PubChem (CID 4209985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).