ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate

C10H15NO4 — CID 135170672

IUPACethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate
SMILESCCOC(=O)OC1C=C(CC)C(=O)N1C
InChIInChI=1S/C10H15NO4/c1-4-7-6-8(11(3)9(7)12)15-10(13)14-5-2/h6,8H,4-5H2,1-3H3
InChIKeyAUCBRRCFDYAZEI-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.29
Rot. Bonds3

About ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate

ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate (PubChem CID 135170672) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate.

Molecular Properties

Compound Nameethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate
PubChem CID135170672
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate
SMILESCCOC(=O)OC1C=C(CC)C(=O)N1C
InChIInChI=1S/C10H15NO4/c1-4-7-6-8(11(3)9(7)12)15-10(13)14-5-2/h6,8H,4-5H2,1-3H3
InChIKeyAUCBRRCFDYAZEI-UHFFFAOYSA-N
XLogP1.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate?
The IUPAC name of ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate (CID 135170672) is ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate.
What is the SMILES notation for ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate?
The canonical SMILES for ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate is CCOC(=O)OC1C=C(CC)C(=O)N1C.
What is the InChIKey of ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate?
The InChIKey is AUCBRRCFDYAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-7-6-8(11(3)9(7)12)15-10(13)14-5-2/h6,8H,4-5H2,1-3H3.
What are the key properties of ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate?
ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate has a molecular weight of 213.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate is sourced from PubChem (CID 135170672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).