3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

C18H21NO2 — CID 134946571

IUPAC3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESCC1=CC[C@@H](C)/C(=C/N2CCOC2=O)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13-8-9-14(2)17(15-6-4-3-5-7-15)16(13)12-19-10-11-21-18(19)20/h3-7,9,12-13,17H,8,10-11H2,1-2H3/b16-12-/t13-,17+/m1/s1
InChIKeyDPFXWTWQLICUIR-NXCYJAHGSA-N
MW283.37 g/mol
LogP4.09
Rot. Bonds2

About 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 134946571) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID134946571
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESCC1=CC[C@@H](C)/C(=C/N2CCOC2=O)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13-8-9-14(2)17(15-6-4-3-5-7-15)16(13)12-19-10-11-21-18(19)20/h3-7,9,12-13,17H,8,10-11H2,1-2H3/b16-12-/t13-,17+/m1/s1
InChIKeyDPFXWTWQLICUIR-NXCYJAHGSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

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Benrixate
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3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
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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-(4-Methylphenyl)ethynyl]-1,3-oxazolidin-2-one
CID 101505475
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

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (CID 134946571) is 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is CC1=CC[C@@H](C)/C(=C/N2CCOC2=O)[C@@H]1c1ccccc1.
What is the InChIKey of 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is DPFXWTWQLICUIR-NXCYJAHGSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-9-14(2)17(15-6-4-3-5-7-15)16(13)12-19-10-11-21-18(19)20/h3-7,9,12-13,17H,8,10-11H2,1-2H3/b16-12-/t13-,17+/m1/s1.
What are the key properties of 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134946571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).