4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

C14H19NO3 — CID 144602736

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILESC=C/C(=C\C=C/C)C1COC(=O)N1C(=O)C(C)C
InChIInChI=1S/C14H19NO3/c1-5-7-8-11(6-2)12-9-18-14(17)15(12)13(16)10(3)4/h5-8,10,12H,2,9H2,1,3-4H3/b7-5-,11-8+
InChIKeyWCGMIDHYVVWIPN-UKJSTWFMSA-N
MW249.31 g/mol
LogP2.68
Rot. Bonds4

About 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 144602736) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID144602736
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILESC=C/C(=C\C=C/C)C1COC(=O)N1C(=O)C(C)C
InChIInChI=1S/C14H19NO3/c1-5-7-8-11(6-2)12-9-18-14(17)15(12)13(16)10(3)4/h5-8,10,12H,2,9H2,1,3-4H3/b7-5-,11-8+
InChIKeyWCGMIDHYVVWIPN-UKJSTWFMSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one (CID 144602736) is 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one is C=C/C(=C\C=C/C)C1COC(=O)N1C(=O)C(C)C.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is WCGMIDHYVVWIPN-UKJSTWFMSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-7-8-11(6-2)12-9-18-14(17)15(12)13(16)10(3)4/h5-8,10,12H,2,9H2,1,3-4H3/b7-5-,11-8+.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 144602736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).