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

C16H23NO3 — CID 144602735

IUPACethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILESC=C.C=C/C(=C\C=C/C)C1COC(=O)N1C(=O)C(C)C
InChIInChI=1S/C14H19NO3.C2H4/c1-5-7-8-11(6-2)12-9-18-14(17)15(12)13(16)10(3)4;1-2/h5-8,10,12H,2,9H2,1,3-4H3;1-2H2/b7-5-,11-8+;
InChIKeyIRNPCUFNEQAHCU-CNFLSFODSA-N
MW277.36 g/mol
LogP3.48
Rot. Bonds4

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

ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 144602735) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID144602735
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILESC=C.C=C/C(=C\C=C/C)C1COC(=O)N1C(=O)C(C)C
InChIInChI=1S/C14H19NO3.C2H4/c1-5-7-8-11(6-2)12-9-18-14(17)15(12)13(16)10(3)4;1-2/h5-8,10,12H,2,9H2,1,3-4H3;1-2H2/b7-5-,11-8+;
InChIKeyIRNPCUFNEQAHCU-CNFLSFODSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one (CID 144602735) is ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for ethene;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=C/C)C1COC(=O)N1C(=O)C(C)C.
What is the InChIKey of ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is IRNPCUFNEQAHCU-CNFLSFODSA-N. The full InChI is InChI=1S/C14H19NO3.C2H4/c1-5-7-8-11(6-2)12-9-18-14(17)15(12)13(16)10(3)4;1-2/h5-8,10,12H,2,9H2,1,3-4H3;1-2H2/b7-5-,11-8+;.
What are the key properties of ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 144602735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).