methyl 1,2-dimethylpyrrole-3-carboxylate

C8H11NO2 — CID 91667853

IUPACmethyl 1,2-dimethylpyrrole-3-carboxylate
SMILESCOC(=O)c1ccn(C)c1C
InChIInChI=1S/C8H11NO2/c1-6-7(8(10)11-3)4-5-9(6)2/h4-5H,1-3H3
InChIKeyMWVNPMIKAVNTOC-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.12
Rot. Bonds1

About methyl 1,2-dimethylpyrrole-3-carboxylate

methyl 1,2-dimethylpyrrole-3-carboxylate (PubChem CID 91667853) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 1,2-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethylpyrrole-3-carboxylate
PubChem CID91667853
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 1,2-dimethylpyrrole-3-carboxylate
SMILESCOC(=O)c1ccn(C)c1C
InChIInChI=1S/C8H11NO2/c1-6-7(8(10)11-3)4-5-9(6)2/h4-5H,1-3H3
InChIKeyMWVNPMIKAVNTOC-UHFFFAOYSA-N
XLogP1.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-1-methylpyrrole-3-carboxylate
CID 130719880
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929462
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
N-(4-methoxy-1,1-dioxothiolan-3-yl)-1,2-dimethylpyrrole-3-carboxamide
CID 156609073
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206521
methyl 3,8-dimethylimidazo[1,5-a]pyridine-7-carboxylate
CID 59565193
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethylpyrrole-3-carboxylate?
The IUPAC name of methyl 1,2-dimethylpyrrole-3-carboxylate (CID 91667853) is methyl 1,2-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 1,2-dimethylpyrrole-3-carboxylate?
The canonical SMILES for methyl 1,2-dimethylpyrrole-3-carboxylate is COC(=O)c1ccn(C)c1C.
What is the InChIKey of methyl 1,2-dimethylpyrrole-3-carboxylate?
The InChIKey is MWVNPMIKAVNTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-7(8(10)11-3)4-5-9(6)2/h4-5H,1-3H3.
What are the key properties of methyl 1,2-dimethylpyrrole-3-carboxylate?
methyl 1,2-dimethylpyrrole-3-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 91667853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).