diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate

C19H32N2O5Si — CID 91742541

IUPACdiethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(N[Si](C)(C)C)C(=O)N(C2CCCCC2)C1C(=O)OCC
InChIInChI=1S/C19H32N2O5Si/c1-6-25-18(23)14-15(20-27(3,4)5)17(22)21(13-11-9-8-10-12-13)16(14)19(24)26-7-2/h13,16,20H,6-12H2,1-5H3
InChIKeyGHTCZSGICQOGRM-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.33
Rot. Bonds7

About diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate

diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate (PubChem CID 91742541) has the molecular formula C19H32N2O5Si and a molecular weight of 396.56 g/mol. Its IUPAC name is diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate
PubChem CID91742541
Molecular FormulaC19H32N2O5Si
Molecular Weight396.56 g/mol
Exact Mass396.21
IUPAC Namediethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(N[Si](C)(C)C)C(=O)N(C2CCCCC2)C1C(=O)OCC
InChIInChI=1S/C19H32N2O5Si/c1-6-25-18(23)14-15(20-27(3,4)5)17(22)21(13-11-9-8-10-12-13)16(14)19(24)26-7-2/h13,16,20H,6-12H2,1-5H3
InChIKeyGHTCZSGICQOGRM-UHFFFAOYSA-N
XLogP2.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-O-benzyl 3-O-ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 54733301
ethyl 2-oxo-1,3,5,6,7,8-hexahydropyrrolizine-3-carboxylate
CID 130432586
diethyl 6-cyclohexyl-7a-hydroxy-7-oxo-4,5-dihydro-[1,3]dioxino[4,5-c]pyrrole-4a,5-dicarboxylate
CID 44726650
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
ethyl (1R)-2-(oxan-4-yl)-3-oxo-1H-isoindole-1-carboxylate
CID 97170543
diethyl (2S,3R,4E)-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxylate
CID 7832466
ethyl (1R,4R,5S,8R)-6-oxo-12-azatricyclo[6.3.1.04,12]dodecane-5-carboxylate
CID 102174312
ethyl 5-arsanyl-1-cyclohexylpyrazole-4-carboxylate
CID 173179527
4-O-ethyl 2-O-methyl (1S,2S,4S,5R,9R)-3-oxo-13-azatricyclo[7.3.1.05,13]tridecane-2,4-dicarboxylate
CID 94347321
ethyl (1S,5R,6S,7R)-3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 51422139
ethyl 1-cyclopentylaziridine-2-carboxylate
CID 117009956
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568

Frequently Asked Questions

What is the IUPAC name of diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate?
The IUPAC name of diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate (CID 91742541) is diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate?
The canonical SMILES for diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate is CCOC(=O)C1=C(N[Si](C)(C)C)C(=O)N(C2CCCCC2)C1C(=O)OCC.
What is the InChIKey of diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate?
The InChIKey is GHTCZSGICQOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5Si/c1-6-25-18(23)14-15(20-27(3,4)5)17(22)21(13-11-9-8-10-12-13)16(14)19(24)26-7-2/h13,16,20H,6-12H2,1-5H3.
What are the key properties of diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate?
diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate has a molecular weight of 396.56 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-cyclohexyl-5-oxo-4-(trimethylsilylamino)-2H-pyrrole-2,3-dicarboxylate is sourced from PubChem (CID 91742541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).