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

C8H13NO2 — CID 45090204

IUPACmethyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCC1=CCCN1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h5H,3-4,6H2,1-2H3
InChIKeyZQZHAWCIJFMLTP-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

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

methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 45090204) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID45090204
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCC1=CCCN1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h5H,3-4,6H2,1-2H3
InChIKeyZQZHAWCIJFMLTP-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate (CID 45090204) is methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate is CCC1=CCCN1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is ZQZHAWCIJFMLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h5H,3-4,6H2,1-2H3.
What are the key properties of methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate?
methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 45090204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).