methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate

C11H15NO4 — CID 71206198

IUPACmethyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate
SMILESCOC(=O)Cc1cn(C)cc1CC(=O)OC
InChIInChI=1S/C11H15NO4/c1-12-6-8(4-10(13)15-2)9(7-12)5-11(14)16-3/h6-7H,4-5H2,1-3H3
InChIKeyKCIJBBYGJRGJKB-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.46
Rot. Bonds4

About methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate

methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate (PubChem CID 71206198) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate
PubChem CID71206198
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate
SMILESCOC(=O)Cc1cn(C)cc1CC(=O)OC
InChIInChI=1S/C11H15NO4/c1-12-6-8(4-10(13)15-2)9(7-12)5-11(14)16-3/h6-7H,4-5H2,1-3H3
InChIKeyKCIJBBYGJRGJKB-UHFFFAOYSA-N
XLogP0.46
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate (CID 71206198) is methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate is COC(=O)Cc1cn(C)cc1CC(=O)OC.
What is the InChIKey of methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate?
The InChIKey is KCIJBBYGJRGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-12-6-8(4-10(13)15-2)9(7-12)5-11(14)16-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate?
methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate has a molecular weight of 225.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]acetate is sourced from PubChem (CID 71206198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).