3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one

C12H19NO4 — CID 121011693

IUPAC3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one
SMILESCO/C=C/CCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C12H19NO4/c1-16-9-6-4-2-3-5-7-11(14)13-8-10-17-12(13)15/h6,9H,2-5,7-8,10H2,1H3/b9-6+
InChIKeyNUBBHGATWUNXHD-RMKNXTFCSA-N
MW241.29 g/mol
LogP2.08
Rot. Bonds7

About 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one

3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one (PubChem CID 121011693) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one
PubChem CID121011693
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one
SMILESCO/C=C/CCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C12H19NO4/c1-16-9-6-4-2-3-5-7-11(14)13-8-10-17-12(13)15/h6,9H,2-5,7-8,10H2,1H3/b9-6+
InChIKeyNUBBHGATWUNXHD-RMKNXTFCSA-N
XLogP2.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Hex-5-enoyl-1,3-oxazolidin-2-one
CID 14972442
3-(6-Methylhept-6-enoyl)-1,3-oxazolidin-2-one
CID 69202554
3-Hept-6-enoyl-1,3-oxazolidin-2-one
CID 91622577
3-(2-Prop-2-enylhexanoyl)-1,3-oxazolidin-2-one
CID 85931226
3-(7-Methoxyhept-6-enoyl)-1,3-oxazolidin-2-one
CID 131887030
3-(8-Methylnon-7-enoyl)-1,3-oxazolidin-2-one
CID 85891880
3-[(E)-octadec-9-enoyl]-1,3-oxazolidin-2-one
CID 22163712
3-Octadec-9-enoyl-1,3-oxazolidin-2-one
CID 54459224
(4S)-3-dec-9-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59891094
3-Non-8-enoyl-1,3-oxazolidin-2-one
CID 89302555
3-(4-Methylidenehexanoyl)-1,3-oxazolidin-2-one
CID 142216456
3-[(E)-tetradec-9-enoyl]-1,3-oxazolidin-2-one
CID 9904237

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one (CID 121011693) is 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one is CO/C=C/CCCCCC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NUBBHGATWUNXHD-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H19NO4/c1-16-9-6-4-2-3-5-7-11(14)13-8-10-17-12(13)15/h6,9H,2-5,7-8,10H2,1H3/b9-6+.
What are the key properties of 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-8-methoxyoct-7-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 121011693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).