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

C7H11NO2 — CID 149466006

IUPACmethyl 1-methyl-2,3-dihydropyrrole-5-carboxylate
SMILESCOC(=O)C1=CCCN1C
InChIInChI=1S/C7H11NO2/c1-8-5-3-4-6(8)7(9)10-2/h4H,3,5H2,1-2H3
InChIKeyZAKYODOWQSSKIO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds1

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

methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate (PubChem CID 149466006) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2,3-dihydropyrrole-5-carboxylate
PubChem CID149466006
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 1-methyl-2,3-dihydropyrrole-5-carboxylate
SMILESCOC(=O)C1=CCCN1C
InChIInChI=1S/C7H11NO2/c1-8-5-3-4-6(8)7(9)10-2/h4H,3,5H2,1-2H3
InChIKeyZAKYODOWQSSKIO-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate?
The IUPAC name of methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate (CID 149466006) is methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate is COC(=O)C1=CCCN1C.
What is the InChIKey of methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate?
The InChIKey is ZAKYODOWQSSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-5-3-4-6(8)7(9)10-2/h4H,3,5H2,1-2H3.
What are the key properties of methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate?
methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate is sourced from PubChem (CID 149466006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).