ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one

C15H23NO3 — CID 143075181

IUPACethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one
SMILESC=C/C=C\C=C(/C)[C@H]1COC(=O)N1C(=O)CC.CC
InChIInChI=1S/C13H17NO3.C2H6/c1-4-6-7-8-10(3)11-9-17-13(16)14(11)12(15)5-2;1-2/h4,6-8,11H,1,5,9H2,2-3H3;1-2H3/b7-6-,10-8+;/t11-;/m1./s1
InChIKeyCLFFZEXZDQZAPZ-KUPDICKMSA-N
MW265.35 g/mol
LogP3.46
Rot. Bonds4

About ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one

ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 143075181) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID143075181
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one
SMILESC=C/C=C\C=C(/C)[C@H]1COC(=O)N1C(=O)CC.CC
InChIInChI=1S/C13H17NO3.C2H6/c1-4-6-7-8-10(3)11-9-17-13(16)14(11)12(15)5-2;1-2/h4,6-8,11H,1,5,9H2,2-3H3;1-2H3/b7-6-,10-8+;/t11-;/m1./s1
InChIKeyCLFFZEXZDQZAPZ-KUPDICKMSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.46
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 ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one (CID 143075181) is ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one is C=C/C=C\C=C(/C)[C@H]1COC(=O)N1C(=O)CC.CC.
What is the InChIKey of ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is CLFFZEXZDQZAPZ-KUPDICKMSA-N. The full InChI is InChI=1S/C13H17NO3.C2H6/c1-4-6-7-8-10(3)11-9-17-13(16)14(11)12(15)5-2;1-2/h4,6-8,11H,1,5,9H2,2-3H3;1-2H3/b7-6-,10-8+;/t11-;/m1./s1.
What are the key properties of ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one?
ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 265.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143075181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).