methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate

C13H17NO4 — CID 143497134

IUPACmethyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate
SMILESC=C/C=C(\C=C/C)CN1C(=O)OCC1C(=O)OC
InChIInChI=1S/C13H17NO4/c1-4-6-10(7-5-2)8-14-11(12(15)17-3)9-18-13(14)16/h4-7,11H,1,8-9H2,2-3H3/b7-5-,10-6+
InChIKeyJKXZXGKBCYOJPE-ZPRNNRRZSA-N
MW251.28 g/mol
LogP1.67
Rot. Bonds5

About methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate

methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate (PubChem CID 143497134) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate
PubChem CID143497134
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate
SMILESC=C/C=C(\C=C/C)CN1C(=O)OCC1C(=O)OC
InChIInChI=1S/C13H17NO4/c1-4-6-10(7-5-2)8-14-11(12(15)17-3)9-18-13(14)16/h4-7,11H,1,8-9H2,2-3H3/b7-5-,10-6+
InChIKeyJKXZXGKBCYOJPE-ZPRNNRRZSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate 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 methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate (CID 143497134) is methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate is C=C/C=C(\C=C/C)CN1C(=O)OCC1C(=O)OC.
What is the InChIKey of methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate?
The InChIKey is JKXZXGKBCYOJPE-ZPRNNRRZSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-6-10(7-5-2)8-14-11(12(15)17-3)9-18-13(14)16/h4-7,11H,1,8-9H2,2-3H3/b7-5-,10-6+.
What are the key properties of methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate?
methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 143497134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).