[1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)

C13H23FeNO2Si+ — CID 134900358

IUPAC[1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)
SMILESCC(NC(=[Fe+])C#C[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2Si.Fe/c1-11(12(15)16-13(2,3)4)14-9-8-10-17(5,6)7;/h11,14H,1-7H3;/q;+1
InChIKeyCJPGNYAXKHTNNT-UHFFFAOYSA-N
MW309.26 g/mol
LogP1.86
Rot. Bonds3

About [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)

[1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+) (PubChem CID 134900358) has the molecular formula C13H23FeNO2Si+ and a molecular weight of 309.26 g/mol. Its IUPAC name is [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+).

Molecular Properties

Compound Name[1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)
PubChem CID134900358
Molecular FormulaC13H23FeNO2Si+
Molecular Weight309.26 g/mol
Exact Mass309.08
IUPAC Name[1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)
SMILESCC(NC(=[Fe+])C#C[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2Si.Fe/c1-11(12(15)16-13(2,3)4)14-9-8-10-17(5,6)7;/h11,14H,1-7H3;/q;+1
InChIKeyCJPGNYAXKHTNNT-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpent-4-ynoate
CID 122379651
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
tert-butyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl (2S)-2-[[(2S)-2-[[(2S,3S)-2,3-diamino-4-[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoate
CID 155444698
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
CID 103310505

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)?
The IUPAC name of [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+) (CID 134900358) is [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+).
What is the SMILES notation for [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)?
The canonical SMILES for [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+) is CC(NC(=[Fe+])C#C[Si](C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)?
The InChIKey is CJPGNYAXKHTNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si.Fe/c1-11(12(15)16-13(2,3)4)14-9-8-10-17(5,6)7;/h11,14H,1-7H3;/q;+1.
What are the key properties of [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+)?
[1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+) has a molecular weight of 309.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-trimethylsilylprop-2-ynylidene]iron(1+) is sourced from PubChem (CID 134900358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).