carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium

C21H21CrNO6 — CID 135077135

IUPACcarbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium
SMILESC=CCCC(=[Cr])N1[C@H](c2ccccc2)COC1(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H21NO.5CO.Cr/c1-4-5-9-12-17-15(13-18-16(17,2)3)14-10-7-6-8-11-14;5*1-2;/h4,6-8,10-11,15H,1,5,9,13H2,2-3H3;;;;;;/t15-;;;;;;/m0....../s1
InChIKeyRQFSIVSEHJBDPU-ZLGGSPEHSA-N
MW435.40 g/mol
LogP3.25
Rot. Bonds5

About carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium

carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium (PubChem CID 135077135) has the molecular formula C21H21CrNO6 and a molecular weight of 435.40 g/mol. Its IUPAC name is carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium.

Molecular Properties

Compound Namecarbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium
PubChem CID135077135
Molecular FormulaC21H21CrNO6
Molecular Weight435.40 g/mol
Exact Mass435.08
IUPAC Namecarbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium
SMILESC=CCCC(=[Cr])N1[C@H](c2ccccc2)COC1(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H21NO.5CO.Cr/c1-4-5-9-12-17-15(13-18-16(17,2)3)14-10-7-6-8-11-14;5*1-2;/h4,6-8,10-11,15H,1,5,9,13H2,2-3H3;;;;;;/t15-;;;;;;/m0....../s1
InChIKeyRQFSIVSEHJBDPU-ZLGGSPEHSA-N
XLogP3.25
TPSA111.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.25
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]ethylidenechromium
CID 10927351
[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
CID 134872179
1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
CID 11133153
[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
CID 135076519
[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone
CID 11471355
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
CID 71352528
tert-butyl (2S,4S)-2-pent-4-enoyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 101106074
1-(2-but-3-enyloxiran-2-yl)-N-(2-phenylaziridin-1-yl)methanimine
CID 71447104
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
benzyl (4S)-2,2-dimethyl-4-[4-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]phenyl]-1,3-oxazolidine-3-carboxylate
CID 178002813
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
(3S,8aR)-8a-methyl-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 10512968

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium?
The IUPAC name of carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium (CID 135077135) is carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium.
What is the SMILES notation for carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium?
The canonical SMILES for carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium is C=CCCC(=[Cr])N1[C@H](c2ccccc2)COC1(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium?
The InChIKey is RQFSIVSEHJBDPU-ZLGGSPEHSA-N. The full InChI is InChI=1S/C16H21NO.5CO.Cr/c1-4-5-9-12-17-15(13-18-16(17,2)3)14-10-7-6-8-11-14;5*1-2;/h4,6-8,10-11,15H,1,5,9,13H2,2-3H3;;;;;;/t15-;;;;;;/m0....../s1.
What are the key properties of carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium?
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium has a molecular weight of 435.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium is sourced from PubChem (CID 135077135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).