methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate

C7H11NO2 — CID 45089952

IUPACmethyl 1-methyl-2,5-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1=CCN(C)C1
InChIInChI=1S/C7H11NO2/c1-8-4-3-6(5-8)7(9)10-2/h3H,4-5H2,1-2H3
InChIKeyBCGAJCOIGUZQOT-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.03
Rot. Bonds1

About methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate

methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate (PubChem CID 45089952) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2,5-dihydropyrrole-3-carboxylate
PubChem CID45089952
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 1-methyl-2,5-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1=CCN(C)C1
InChIInChI=1S/C7H11NO2/c1-8-4-3-6(5-8)7(9)10-2/h3H,4-5H2,1-2H3
InChIKeyBCGAJCOIGUZQOT-UHFFFAOYSA-N
XLogP0.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate?
The IUPAC name of methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate (CID 45089952) is methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate is COC(=O)C1=CCN(C)C1.
What is the InChIKey of methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate?
The InChIKey is BCGAJCOIGUZQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-4-3-6(5-8)7(9)10-2/h3H,4-5H2,1-2H3.
What are the key properties of methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate?
methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2,5-dihydropyrrole-3-carboxylate is sourced from PubChem (CID 45089952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).