ethyl 2-(benzylideneamino)pentanoate

C14H19NO2 — CID 10704801

IUPACethyl 2-(benzylideneamino)pentanoate
SMILESCCCC(/N=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-3-8-13(14(16)17-4-2)15-11-12-9-6-5-7-10-12/h5-7,9-11,13H,3-4,8H2,1-2H3/b15-11+
InChIKeyWBLWBNAYJVZXRX-RVDMUPIBSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds6

About ethyl 2-(benzylideneamino)pentanoate

ethyl 2-(benzylideneamino)pentanoate (PubChem CID 10704801) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-(benzylideneamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(benzylideneamino)pentanoate
PubChem CID10704801
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-(benzylideneamino)pentanoate
SMILESCCCC(/N=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-3-8-13(14(16)17-4-2)15-11-12-9-6-5-7-10-12/h5-7,9-11,13H,3-4,8H2,1-2H3/b15-11+
InChIKeyWBLWBNAYJVZXRX-RVDMUPIBSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
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 ethyl 2-(benzylideneamino)pentanoate?
The IUPAC name of ethyl 2-(benzylideneamino)pentanoate (CID 10704801) is ethyl 2-(benzylideneamino)pentanoate.
What is the SMILES notation for ethyl 2-(benzylideneamino)pentanoate?
The canonical SMILES for ethyl 2-(benzylideneamino)pentanoate is CCCC(/N=C/c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(benzylideneamino)pentanoate?
The InChIKey is WBLWBNAYJVZXRX-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-8-13(14(16)17-4-2)15-11-12-9-6-5-7-10-12/h5-7,9-11,13H,3-4,8H2,1-2H3/b15-11+.
What are the key properties of ethyl 2-(benzylideneamino)pentanoate?
ethyl 2-(benzylideneamino)pentanoate has a molecular weight of 233.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylideneamino)pentanoate is sourced from PubChem (CID 10704801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).