methyl 2-ethyl-1-methylpyrrole-3-carboxylate

C9H13NO2 — CID 130719880

IUPACmethyl 2-ethyl-1-methylpyrrole-3-carboxylate
SMILESCCc1c(C(=O)OC)ccn1C
InChIInChI=1S/C9H13NO2/c1-4-8-7(9(11)12-3)5-6-10(8)2/h5-6H,4H2,1-3H3
InChIKeyQVGQAYZGPJYGMT-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.37
Rot. Bonds2

About methyl 2-ethyl-1-methylpyrrole-3-carboxylate

methyl 2-ethyl-1-methylpyrrole-3-carboxylate (PubChem CID 130719880) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl 2-ethyl-1-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-1-methylpyrrole-3-carboxylate
PubChem CID130719880
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl 2-ethyl-1-methylpyrrole-3-carboxylate
SMILESCCc1c(C(=O)OC)ccn1C
InChIInChI=1S/C9H13NO2/c1-4-8-7(9(11)12-3)5-6-10(8)2/h5-6H,4H2,1-3H3
InChIKeyQVGQAYZGPJYGMT-UHFFFAOYSA-N
XLogP1.37
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-methoxy-1-methylpyrrole-3-carboxamide
CID 131089874
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide
CID 136544094
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-ethylthiophene-3-carboxylate
CID 13099127
methyl 2-ethyl-1-oxidopyridin-1-ium-3-carboxylate
CID 172753791
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
ethyl 4-methyl-1H-pyrrole-3-carboxylate;methyl 4-methyl-1H-pyrrole-3-carboxylate
CID 70398310
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 3-(1-methoxycarbonylpyrrolo[2,1-a]isoquinolin-3-yl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 25189390

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-1-methylpyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-1-methylpyrrole-3-carboxylate (CID 130719880) is methyl 2-ethyl-1-methylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-1-methylpyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-1-methylpyrrole-3-carboxylate is CCc1c(C(=O)OC)ccn1C.
What is the InChIKey of methyl 2-ethyl-1-methylpyrrole-3-carboxylate?
The InChIKey is QVGQAYZGPJYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-8-7(9(11)12-3)5-6-10(8)2/h5-6H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-1-methylpyrrole-3-carboxylate?
methyl 2-ethyl-1-methylpyrrole-3-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-1-methylpyrrole-3-carboxylate is sourced from PubChem (CID 130719880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).