methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate

C15H17NO3 — CID 117222897

IUPACmethyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
SMILESCCn1cc(-c2cccc(OC)c2)cc1C(=O)OC
InChIInChI=1S/C15H17NO3/c1-4-16-10-12(9-14(16)15(17)19-3)11-6-5-7-13(8-11)18-2/h5-10H,4H2,1-3H3
InChIKeyXLTITAMKGQUCOX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.97
Rot. Bonds4

About methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate

methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate (PubChem CID 117222897) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
PubChem CID117222897
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
SMILESCCn1cc(-c2cccc(OC)c2)cc1C(=O)OC
InChIInChI=1S/C15H17NO3/c1-4-16-10-12(9-14(16)15(17)19-3)11-6-5-7-13(8-11)18-2/h5-10H,4H2,1-3H3
InChIKeyXLTITAMKGQUCOX-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 117223182
methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222899
methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
CID 117222442
methyl 5-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222769
methyl 4-formyl-1-[2-(3-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate
CID 87648736
1-(1-ethyl-5-propanoylpyrrol-3-yl)-2-(3-methoxyphenyl)ethane-1,2-dione
CID 68701981
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 166254361
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate (CID 117222897) is methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate is CCn1cc(-c2cccc(OC)c2)cc1C(=O)OC.
What is the InChIKey of methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate?
The InChIKey is XLTITAMKGQUCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-16-10-12(9-14(16)15(17)19-3)11-6-5-7-13(8-11)18-2/h5-10H,4H2,1-3H3.
What are the key properties of methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate?
methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 117222897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).