methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate

C8H11NO3 — CID 141358438

IUPACmethyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(OC)c1C
InChIInChI=1S/C8H11NO3/c1-5-6(11-2)4-9-7(5)8(10)12-3/h4,9H,1-3H3
InChIKeyCHNNPXBIZZXAHJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.12
Rot. Bonds2

About methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate

methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate (PubChem CID 141358438) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate
PubChem CID141358438
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(OC)c1C
InChIInChI=1S/C8H11NO3/c1-5-6(11-2)4-9-7(5)8(10)12-3/h4,9H,1-3H3
InChIKeyCHNNPXBIZZXAHJ-UHFFFAOYSA-N
XLogP1.12
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate (CID 141358438) is methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]cc(OC)c1C.
What is the InChIKey of methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is CHNNPXBIZZXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-6(11-2)4-9-7(5)8(10)12-3/h4,9H,1-3H3.
What are the key properties of methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate?
methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 141358438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).