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

C10H13NO4 — CID 14358077

IUPACmethyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]cc1CC(=O)OC
InChIInChI=1S/C10H13NO4/c1-14-9(12)3-7-5-11-6-8(7)4-10(13)15-2/h5-6,11H,3-4H2,1-2H3
InChIKeyONASKGOUNNAFSN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.45
Rot. Bonds4

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

methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate (PubChem CID 14358077) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate
PubChem CID14358077
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]cc1CC(=O)OC
InChIInChI=1S/C10H13NO4/c1-14-9(12)3-7-5-11-6-8(7)4-10(13)15-2/h5-6,11H,3-4H2,1-2H3
InChIKeyONASKGOUNNAFSN-UHFFFAOYSA-N
XLogP0.45
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate (CID 14358077) is methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate is COC(=O)Cc1c[nH]cc1CC(=O)OC.
What is the InChIKey of methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate?
The InChIKey is ONASKGOUNNAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-9(12)3-7-5-11-6-8(7)4-10(13)15-2/h5-6,11H,3-4H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate?
methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate has a molecular weight of 211.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]acetate is sourced from PubChem (CID 14358077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).