methyl 5-methyl-1H-pyrrole-3-carboxylate

C7H9NO2 — CID 3831101

IUPACmethyl 5-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c[nH]c(C)c1
InChIInChI=1S/C7H9NO2/c1-5-3-6(4-8-5)7(9)10-2/h3-4,8H,1-2H3
InChIKeyRGLRQDCBEOTJOG-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.11
Rot. Bonds1

About methyl 5-methyl-1H-pyrrole-3-carboxylate

methyl 5-methyl-1H-pyrrole-3-carboxylate (PubChem CID 3831101) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is methyl 5-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1H-pyrrole-3-carboxylate
PubChem CID3831101
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Namemethyl 5-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c[nH]c(C)c1
InChIInChI=1S/C7H9NO2/c1-5-3-6(4-8-5)7(9)10-2/h3-4,8H,1-2H3
InChIKeyRGLRQDCBEOTJOG-UHFFFAOYSA-N
XLogP1.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-nitro-1H-pyrrole-3-carboxylate
CID 44784920
methyl 5-(4-fluorophenyl)sulfanyl-1H-pyrrole-3-carboxylate
CID 12897050
ethane;methyl 5-pyrimidin-2-yl-1H-pyrrole-3-carboxylate
CID 169144514
methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 46317623
CID 170307924
CID 170307924
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 7-oxobicyclo[3.1.1]hepta-1(6),2,4-triene-3-carboxylate chloride
CID 22765130
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
methyl 5-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133092802
methyl 6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridine-3-carboxylate
CID 133092680

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1H-pyrrole-3-carboxylate (CID 3831101) is methyl 5-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1H-pyrrole-3-carboxylate is COC(=O)c1c[nH]c(C)c1.
What is the InChIKey of methyl 5-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is RGLRQDCBEOTJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-3-6(4-8-5)7(9)10-2/h3-4,8H,1-2H3.
What are the key properties of methyl 5-methyl-1H-pyrrole-3-carboxylate?
methyl 5-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 139.15 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 3831101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).