carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine

C19H17CrNO4 — CID 134899212

IUPACcarbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine
SMILESCN1O[C@@H](c2ccccc2)C[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C16H17NO.3CO.Cr/c1-17-15(13-8-4-2-5-9-13)12-16(18-17)14-10-6-3-7-11-14;3*1-2;/h2-11,15-16H,12H2,1H3;;;;/t15-,16+;;;;/m0..../s1
InChIKeyROWFHLPDHXRAKK-PBDYATHVSA-N
MW375.34 g/mol
LogP3.62
Rot. Bonds2

About carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine

carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine (PubChem CID 134899212) has the molecular formula C19H17CrNO4 and a molecular weight of 375.34 g/mol. Its IUPAC name is carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Namecarbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine
PubChem CID134899212
Molecular FormulaC19H17CrNO4
Molecular Weight375.34 g/mol
Exact Mass375.06
IUPAC Namecarbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine
SMILESCN1O[C@@H](c2ccccc2)C[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C16H17NO.3CO.Cr/c1-17-15(13-8-4-2-5-9-13)12-16(18-17)14-10-6-3-7-11-14;3*1-2;/h2-11,15-16H,12H2,1H3;;;;/t15-,16+;;;;/m0..../s1
InChIKeyROWFHLPDHXRAKK-PBDYATHVSA-N
XLogP3.62
TPSA72.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
The IUPAC name of carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine (CID 134899212) is carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine.
What is the SMILES notation for carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
The canonical SMILES for carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine is CN1O[C@@H](c2ccccc2)C[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
The InChIKey is ROWFHLPDHXRAKK-PBDYATHVSA-N. The full InChI is InChI=1S/C16H17NO.3CO.Cr/c1-17-15(13-8-4-2-5-9-13)12-16(18-17)14-10-6-3-7-11-14;3*1-2;/h2-11,15-16H,12H2,1H3;;;;/t15-,16+;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine has a molecular weight of 375.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;(3S,5R)-2-methyl-3,5-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 134899212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).