3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one

C14H24N2O4 — CID 138547145

IUPAC3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCOC(CCN)CCC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C14H24N2O4/c1-2-19-12(8-9-15)6-4-3-5-7-13(17)16-10-11-20-14(16)18/h5,7,12H,2-4,6,8-11,15H2,1H3/b7-5+
InChIKeyBOBVPACGGOODPU-FNORWQNLSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds9

About 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 138547145) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID138547145
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCOC(CCN)CCC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C14H24N2O4/c1-2-19-12(8-9-15)6-4-3-5-7-13(17)16-10-11-20-14(16)18/h5,7,12H,2-4,6,8-11,15H2,1H3/b7-5+
InChIKeyBOBVPACGGOODPU-FNORWQNLSA-N
XLogP1.45
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one (CID 138547145) is 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one is CCOC(CCN)CCC/C=C/C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is BOBVPACGGOODPU-FNORWQNLSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-19-12(8-9-15)6-4-3-5-7-13(17)16-10-11-20-14(16)18/h5,7,12H,2-4,6,8-11,15H2,1H3/b7-5+.
What are the key properties of 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138547145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).