[[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten

C12H17NO2W — CID 11123979

IUPAC[[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten
SMILESCC1C=CC[C@@H](C)[C@@H]1C(=[W])N1CCOC1=O
InChIInChI=1S/C12H17NO2.W/c1-9-4-3-5-10(2)11(9)8-13-6-7-15-12(13)14;/h3-4,9-11H,5-7H2,1-2H3;/t9?,10-,11-;/m1./s1
InChIKeySFURDNLTSVCBQC-DKDCRDSBSA-N
MW391.11 g/mol
LogP1.96
Rot. Bonds2

About [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten

[[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten (PubChem CID 11123979) has the molecular formula C12H17NO2W and a molecular weight of 391.11 g/mol. Its IUPAC name is [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten.

Molecular Properties

Compound Name[[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten
PubChem CID11123979
Molecular FormulaC12H17NO2W
Molecular Weight391.11 g/mol
Exact Mass391.08
IUPAC Name[[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten
SMILESCC1C=CC[C@@H](C)[C@@H]1C(=[W])N1CCOC1=O
InChIInChI=1S/C12H17NO2.W/c1-9-4-3-5-10(2)11(9)8-13-6-7-15-12(13)14;/h3-4,9-11H,5-7H2,1-2H3;/t9?,10-,11-;/m1./s1
InChIKeySFURDNLTSVCBQC-DKDCRDSBSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten?
The IUPAC name of [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten (CID 11123979) is [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten.
What is the SMILES notation for [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten?
The canonical SMILES for [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten is CC1C=CC[C@@H](C)[C@@H]1C(=[W])N1CCOC1=O.
What is the InChIKey of [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten?
The InChIKey is SFURDNLTSVCBQC-DKDCRDSBSA-N. The full InChI is InChI=1S/C12H17NO2.W/c1-9-4-3-5-10(2)11(9)8-13-6-7-15-12(13)14;/h3-4,9-11H,5-7H2,1-2H3;/t9?,10-,11-;/m1./s1.
What are the key properties of [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten?
[[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten has a molecular weight of 391.11 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S,6R)-2,6-dimethylcyclohex-3-en-1-yl]-(2-oxo-1,3-oxazolidin-3-yl)methylidene]tungsten is sourced from PubChem (CID 11123979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).