ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate

C14H19NO2 — CID 154105831

IUPACethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(C)C1
InChIInChI=1S/C14H19NO2/c1-3-17-13(16)14(9-10-15(2)11-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyCBBLIEHODKCLMT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.82
Rot. Bonds3

About ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate

ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate (PubChem CID 154105831) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
PubChem CID154105831
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(C)C1
InChIInChI=1S/C14H19NO2/c1-3-17-13(16)14(9-10-15(2)11-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyCBBLIEHODKCLMT-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
1-O-benzyl 3-O-ethyl (3R)-3-phenylpyrrolidine-1,3-dicarboxylate
CID 125479602
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 3076324
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 3040375
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
CID 141095818

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate (CID 154105831) is ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(C)C1.
What is the InChIKey of ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate?
The InChIKey is CBBLIEHODKCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-13(16)14(9-10-15(2)11-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3.
What are the key properties of ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate?
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 154105831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).