methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate

C11H19NO3 — CID 45094329

IUPACmethyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate
SMILESCCOC1=NCC(C(C)C)C1C(=O)OC
InChIInChI=1S/C11H19NO3/c1-5-15-10-9(11(13)14-4)8(6-12-10)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyUCQZUKOMAWYNTH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds3

About methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate

methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate (PubChem CID 45094329) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate
PubChem CID45094329
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate
SMILESCCOC1=NCC(C(C)C)C1C(=O)OC
InChIInChI=1S/C11H19NO3/c1-5-15-10-9(11(13)14-4)8(6-12-10)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyUCQZUKOMAWYNTH-UHFFFAOYSA-N
XLogP1.50
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate?
The IUPAC name of methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate (CID 45094329) is methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate is CCOC1=NCC(C(C)C)C1C(=O)OC.
What is the InChIKey of methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate?
The InChIKey is UCQZUKOMAWYNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-15-10-9(11(13)14-4)8(6-12-10)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate?
methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate is sourced from PubChem (CID 45094329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).