ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate

C11H19NO3 — CID 68792080

IUPACethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate
SMILESCCOC(=O)C1C(OCC)=NCC1(C)C
InChIInChI=1S/C11H19NO3/c1-5-14-9-8(10(13)15-6-2)11(3,4)7-12-9/h8H,5-7H2,1-4H3
InChIKeyRIUTUEZXNVBSOQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds3

About ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate

ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate (PubChem CID 68792080) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate
PubChem CID68792080
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate
SMILESCCOC(=O)C1C(OCC)=NCC1(C)C
InChIInChI=1S/C11H19NO3/c1-5-14-9-8(10(13)15-6-2)11(3,4)7-12-9/h8H,5-7H2,1-4H3
InChIKeyRIUTUEZXNVBSOQ-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-methoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 167739132
2-ethoxy-4,5-dihydro-3H-pyrrole-3-carboxylic acid ethyl ester
CID 57713875
methyl 5-methoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 66838738
Methyl 4-(methoxymethyl)-2,3-dihydropyrrole-4-carboxylate
CID 143488472
methyl 5-ethoxy-3-propan-2-yl-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 45094329
ethyl (4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 129394498
ethyl (4S)-5-ethoxy-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 129394499
ethyl 5-methoxy-4-methyl-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 137943455

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate?
The IUPAC name of ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate (CID 68792080) is ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate?
The canonical SMILES for ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate is CCOC(=O)C1C(OCC)=NCC1(C)C.
What is the InChIKey of ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate?
The InChIKey is RIUTUEZXNVBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-14-9-8(10(13)15-6-2)11(3,4)7-12-9/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate?
ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-3,3-dimethyl-2,4-dihydropyrrole-4-carboxylate is sourced from PubChem (CID 68792080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).