3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

C16H17NO2 — CID 134965374

IUPAC3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C1/CCC=C[C@H]1c1ccccc1
InChIInChI=1S/C16H17NO2/c18-16-17(10-11-19-16)12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,5-7,9,12,15H,4,8,10-11H2/b14-12-/t15-/m0/s1
InChIKeyLLNNNDVIHSTQPB-ZSMUJPCHSA-N
MW255.32 g/mol
LogP3.46
Rot. Bonds2

About 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 134965374) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID134965374
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C1/CCC=C[C@H]1c1ccccc1
InChIInChI=1S/C16H17NO2/c18-16-17(10-11-19-16)12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,5-7,9,12,15H,4,8,10-11H2/b14-12-/t15-/m0/s1
InChIKeyLLNNNDVIHSTQPB-ZSMUJPCHSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benrixate
CID 184848
3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 122391411
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132969632
3-Styryl-oxazolidin-2-one
CID 13790906
3-(Phenylethynyl)oxazolidin-2-one
CID 23629254
Cinnamyl-oxazolidinone
CID 68523529
3-[2-(3-Methylphenyl)ethynyl]-1,3-oxazolidin-2-one
CID 102450786
3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978329
3-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97928648
1-Isobutyloxycarbonyl-4-phenyl-1,4-dihydropyridine
CID 21727263
2-Oxazolidinone, 4-(diphenylmethyl)-3-(1,2-propadienyl)-, (4R)-
CID 12062006

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (CID 134965374) is 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C=C1/CCC=C[C@H]1c1ccccc1.
What is the InChIKey of 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is LLNNNDVIHSTQPB-ZSMUJPCHSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16-17(10-11-19-16)12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,5-7,9,12,15H,4,8,10-11H2/b14-12-/t15-/m0/s1.
What are the key properties of 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134965374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).