ethyl 2-(benzylideneamino)propanoate

C12H15NO2 — CID 4169259

IUPACethyl 2-(benzylideneamino)propanoate
SMILESCCOC(=O)C(C)/N=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)10(2)13-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b13-9+
InChIKeyLYZBDHZAIXLWRM-UKTHLTGXSA-N
MW205.26 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-(benzylideneamino)propanoate

ethyl 2-(benzylideneamino)propanoate (PubChem CID 4169259) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-(benzylideneamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(benzylideneamino)propanoate
PubChem CID4169259
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-(benzylideneamino)propanoate
SMILESCCOC(=O)C(C)/N=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)10(2)13-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b13-9+
InChIKeyLYZBDHZAIXLWRM-UKTHLTGXSA-N
XLogP2.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 583372
CID 583372
CID 319508
CID 319508
CID 563248
CID 563248
CID 4169153
CID 4169153
CID 1478228
CID 1478228
CID 13657821
CID 13657821
CID 101963488
CID 101963488
CID 101963493
CID 101963493
CID 127037628
CID 127037628
CID 11010696
CID 11010696
CID 11275592
CID 11275592
CID 12118003
CID 12118003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylideneamino)propanoate?
The IUPAC name of ethyl 2-(benzylideneamino)propanoate (CID 4169259) is ethyl 2-(benzylideneamino)propanoate.
What is the SMILES notation for ethyl 2-(benzylideneamino)propanoate?
The canonical SMILES for ethyl 2-(benzylideneamino)propanoate is CCOC(=O)C(C)/N=C/c1ccccc1.
What is the InChIKey of ethyl 2-(benzylideneamino)propanoate?
The InChIKey is LYZBDHZAIXLWRM-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(14)10(2)13-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b13-9+.
What are the key properties of ethyl 2-(benzylideneamino)propanoate?
ethyl 2-(benzylideneamino)propanoate has a molecular weight of 205.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylideneamino)propanoate is sourced from PubChem (CID 4169259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).