ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate

C10H15NO4 — CID 142849264

IUPACethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate
SMILESCCOC(=O)COC1=CC(=O)NC1CC
InChIInChI=1S/C10H15NO4/c1-3-7-8(5-9(12)11-7)15-6-10(13)14-4-2/h5,7H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyATUNZWLTDLQSBC-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.36
Rot. Bonds5

About ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate

ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate (PubChem CID 142849264) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate
PubChem CID142849264
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate
SMILESCCOC(=O)COC1=CC(=O)NC1CC
InChIInChI=1S/C10H15NO4/c1-3-7-8(5-9(12)11-7)15-6-10(13)14-4-2/h5,7H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyATUNZWLTDLQSBC-UHFFFAOYSA-N
XLogP0.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,4S)-3-acetamido-4-amino-3,4-dihydro-2H-pyran-6-carboxylate
CID 10081948
methyl (3S,4S)-3-acetamido-4-acetyloxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 10377747
Ethyl 2-(3-methoxy-5-oxo-1,2-dihydropyrrol-2-yl)acetate
CID 13791328
(3R)-3-acetamido-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 101576725
N-butan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126999597
methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate
CID 142122453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate (CID 142849264) is ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate is CCOC(=O)COC1=CC(=O)NC1CC.
What is the InChIKey of ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate?
The InChIKey is ATUNZWLTDLQSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-7-8(5-9(12)11-7)15-6-10(13)14-4-2/h5,7H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate?
ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate has a molecular weight of 213.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate is sourced from PubChem (CID 142849264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).