methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate

C9H13NO3 — CID 10797537

IUPACmethyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate
SMILESCCOc1cc(C(=O)OC)[nH]c1C
InChIInChI=1S/C9H13NO3/c1-4-13-8-5-7(9(11)12-3)10-6(8)2/h5,10H,4H2,1-3H3
InChIKeyDFKYEYLRZHFLTO-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.51
Rot. Bonds3

About methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate

methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate (PubChem CID 10797537) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate
PubChem CID10797537
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate
SMILESCCOc1cc(C(=O)OC)[nH]c1C
InChIInChI=1S/C9H13NO3/c1-4-13-8-5-7(9(11)12-3)10-6(8)2/h5,10H,4H2,1-3H3
InChIKeyDFKYEYLRZHFLTO-UHFFFAOYSA-N
XLogP1.51
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-ethoxy-6-hydroxy-1H-indole-2-carboxylate
CID 168814856
methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
CID 176600119
methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate
CID 90682247
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
methyl 4-ethoxy-2-methyl-5-methylsulfonylbenzoate
CID 15521418
methyl 2-ethoxy-5-iodo-4-methylbenzoate
CID 59224659
methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
methyl 2-bromo-5-ethoxy-4-methylbenzoate
CID 175048680
methyl 4-ethoxy-3-propan-2-ylbenzoate
CID 82554090
dimethyl 4-(3-ethoxy-4-methylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3575231
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
methyl 4-(diethylamino)-3-ethoxybenzoate
CID 168966387

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate (CID 10797537) is methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate is CCOc1cc(C(=O)OC)[nH]c1C.
What is the InChIKey of methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is DFKYEYLRZHFLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-13-8-5-7(9(11)12-3)10-6(8)2/h5,10H,4H2,1-3H3.
What are the key properties of methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate?
methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10797537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).