3-[(Z)-[(2R,6S)-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

C36H42N2O4 — CID 139043007

IUPAC3-[(Z)-[(2R,6S)-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
SMILESCC1=CC[C@@H](C)/C(=C/N2CCOC2=O)[C@@H]1c1ccccc1.CC1=CC[C@H](C)/C(=C/N2CCOC2=O)[C@H]1c1ccccc1
InChIInChI=1S/2C18H21NO2/c2*1-13-8-9-14(2)17(15-6-4-3-5-7-15)16(13)12-19-10-11-21-18(19)20/h2*3-7,9,12-13,17H,8,10-11H2,1-2H3/b2*16-12-/t2*13-,17+/m10/s1
InChIKeySPPVHZSSAWXZPX-JOCKKLGTSA-N
MW566.74 g/mol
LogP8.18
Rot. Bonds4

About 3-[(Z)-[(2R,6S)-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

3-[(Z)-[(2R,6S)-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 139043007) has the molecular formula C36H42N2O4 and a molecular weight of 566.74 g/mol. Its IUPAC name is 3-[(Z)-[(2R,6S)-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.

Molecular Properties

Compound Name3-[(Z)-[(2R,6S)-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 CID139043007
Molecular FormulaC36H42N2O4
Molecular Weight566.74 g/mol
Exact Mass566.31
IUPAC Name3-[(Z)-[(2R,6S)-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
SMILESCC1=CC[C@@H](C)/C(=C/N2CCOC2=O)[C@@H]1c1ccccc1.CC1=CC[C@H](C)/C(=C/N2CCOC2=O)[C@H]1c1ccccc1
InChIInChI=1S/2C18H21NO2/c2*1-13-8-9-14(2)17(15-6-4-3-5-7-15)16(13)12-19-10-11-21-18(19)20/h2*3-7,9,12-13,17H,8,10-11H2,1-2H3/b2*16-12-/t2*13-,17+/m10/s1
InChIKeySPPVHZSSAWXZPX-JOCKKLGTSA-N
XLogP8.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.74
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(Z)-[(2R,6S)-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 with MolForge

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Related Compounds

(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101348788
3-[(Z)-[(2S,5R)-5-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 125508766
3-[(Z)-1-chloro-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 132605301
3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134946570
3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134946571
3-[(Z)-2-ethyl-4-phenylbut-1-enyl]-1,3-oxazolidin-2-one
CID 134964076
3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134965374
3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135061677
3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135062837
(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one
CID 139037663
(4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
CID 139043349
3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 139192316

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(2R,6S)-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?
The IUPAC name of 3-[(Z)-[(2R,6S)-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 (CID 139043007) is 3-[(Z)-[(2R,6S)-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.
What is the SMILES notation for 3-[(Z)-[(2R,6S)-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?
The canonical SMILES for 3-[(Z)-[(2R,6S)-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 is CC1=CC[C@@H](C)/C(=C/N2CCOC2=O)[C@@H]1c1ccccc1.CC1=CC[C@H](C)/C(=C/N2CCOC2=O)[C@H]1c1ccccc1.
What is the InChIKey of 3-[(Z)-[(2R,6S)-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?
The InChIKey is SPPVHZSSAWXZPX-JOCKKLGTSA-N. The full InChI is InChI=1S/2C18H21NO2/c2*1-13-8-9-14(2)17(15-6-4-3-5-7-15)16(13)12-19-10-11-21-18(19)20/h2*3-7,9,12-13,17H,8,10-11H2,1-2H3/b2*16-12-/t2*13-,17+/m10/s1.
What are the key properties of 3-[(Z)-[(2R,6S)-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?
3-[(Z)-[(2R,6S)-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 566.74 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2R,6S)-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 is sourced from PubChem (CID 139043007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).