3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one

C18H21NO4 — CID 134942241

IUPAC3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C(\O)c1ccccc1)CCCC/C=C/N1CCOC1=O
InChIInChI=1S/C18H21NO4/c20-16(14-17(21)15-8-4-3-5-9-15)10-6-1-2-7-11-19-12-13-23-18(19)22/h3-5,7-9,11,14,21H,1-2,6,10,12-13H2/b11-7+,17-14-
InChIKeyBHGGMSMGFAJSPU-LNUOCBTKSA-N
MW315.37 g/mol
LogP3.68
Rot. Bonds8

About 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one

3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one (PubChem CID 134942241) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one
PubChem CID134942241
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C(\O)c1ccccc1)CCCC/C=C/N1CCOC1=O
InChIInChI=1S/C18H21NO4/c20-16(14-17(21)15-8-4-3-5-9-15)10-6-1-2-7-11-19-12-13-23-18(19)22/h3-5,7-9,11,14,21H,1-2,6,10,12-13H2/b11-7+,17-14-
InChIKeyBHGGMSMGFAJSPU-LNUOCBTKSA-N
XLogP3.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide
CID 177479355
3-[(E)-2-phenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 101211960
(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide
CID 101460563
3-[(E)-2-[dimethyl(phenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132504006
3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 122402062
3-[(Z)-5-[dimethyl(phenyl)silyl]hex-4-enoyl]-1,3-oxazolidin-2-one
CID 101064679
3-[(E)-hex-4-enoyl]-1,3-oxazolidin-2-one
CID 15502915
3-non-8-enoyl-1,3-oxazolidin-2-one
CID 89302555
(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one
CID 137456973
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one
CID 46894957
(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
CID 5377692

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one (CID 134942241) is 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one is O=C(/C=C(\O)c1ccccc1)CCCC/C=C/N1CCOC1=O.
What is the InChIKey of 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is BHGGMSMGFAJSPU-LNUOCBTKSA-N. The full InChI is InChI=1S/C18H21NO4/c20-16(14-17(21)15-8-4-3-5-9-15)10-6-1-2-7-11-19-12-13-23-18(19)22/h3-5,7-9,11,14,21H,1-2,6,10,12-13H2/b11-7+,17-14-.
What are the key properties of 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one?
3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 315.37 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134942241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).