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

C7H11NO2 — CID 149466006

IUPACmethyl 1-methyl-2,3-dihydropyrrole-5-carboxylate
SMILESCN1CCC=C1C(=O)OC
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
LogP1.00
Rot. Bonds2

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
SMILESCN1CCC=C1C(=O)OC
InChIInChI=1S/C7H11NO2/c1-8-5-3-4-6(8)7(9)10-2/h4H,3,5H2,1-2H3
InChIKeyZAKYODOWQSSKIO-UHFFFAOYSA-N
XLogP1.00
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.00
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 CN1CCC=C1C(=O)OC.
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 1.00, 2 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).