ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate

C11H19NO2 — CID 141498320

IUPACethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1C=CCC1C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-5-14-10(13)12-8-6-7-9(12)11(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyLPAWMPQJIMXQFX-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.78
Rot. Bonds1

About ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate

ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 141498320) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID141498320
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate
SMILESCCOC(=O)N1C=CCC1C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-5-14-10(13)12-8-6-7-9(12)11(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyLPAWMPQJIMXQFX-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate
CID 58384773
3-Hex-5-en-3-yl-1,3-oxazol-2-one
CID 132538420
2-Tert-butyl-2,3-dihydropyrrole-1-carboxylic acid
CID 175419093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate (CID 141498320) is ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate is CCOC(=O)N1C=CCC1C(C)(C)C.
What is the InChIKey of ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is LPAWMPQJIMXQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-14-10(13)12-8-6-7-9(12)11(2,3)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate?
ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 141498320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).