methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate

C11H17NO4 — CID 146261338

IUPACmethyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate
SMILESCOCCn1cc(C(=O)OC)cc1COC
InChIInChI=1S/C11H17NO4/c1-14-5-4-12-7-9(11(13)16-3)6-10(12)8-15-2/h6-7H,4-5,8H2,1-3H3
InChIKeySHDFVFKSVLRZFK-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.07
Rot. Bonds6

About methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate

methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate (PubChem CID 146261338) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate
PubChem CID146261338
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate
SMILESCOCCn1cc(C(=O)OC)cc1COC
InChIInChI=1S/C11H17NO4/c1-14-5-4-12-7-9(11(13)16-3)6-10(12)8-15-2/h6-7H,4-5,8H2,1-3H3
InChIKeySHDFVFKSVLRZFK-UHFFFAOYSA-N
XLogP1.07
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate (CID 146261338) is methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate is COCCn1cc(C(=O)OC)cc1COC.
What is the InChIKey of methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate?
The InChIKey is SHDFVFKSVLRZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-5-4-12-7-9(11(13)16-3)6-10(12)8-15-2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate?
methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate is sourced from PubChem (CID 146261338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).