ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate

C7H11NO2 — CID 72965039

IUPACethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1CCC=N1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h5-6H,2-4H2,1H3
InChIKeyGIBYAWAMDZXFJS-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.78
Rot. Bonds2

About ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate

ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 72965039) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID72965039
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1CCC=N1
InChIInChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h5-6H,2-4H2,1H3
InChIKeyGIBYAWAMDZXFJS-UHFFFAOYSA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 123263588
ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 124506439
ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate
CID 86307720
ethyl (3S)-3,4-dihydropyridazine-3-carboxylate
CID 97303961
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
ethyl bicyclo[6.1.0]non-4-ene-9-carboxylate
CID 77425654
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
diethyl cyclohept-4-ene-1,2-dicarboxylate
CID 66930380
ethyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 538229

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate (CID 72965039) is ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate is CCOC(=O)C1CCC=N1.
What is the InChIKey of ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is GIBYAWAMDZXFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-10-7(9)6-4-3-5-8-6/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate?
ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 72965039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).