ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate

C14H19NO2 — CID 165407566

IUPACethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)C1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)15-10-9-11(2)13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyQKUFEIOQCRCQMG-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.23
Rot. Bonds2

About ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate

ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate (PubChem CID 165407566) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
PubChem CID165407566
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)C1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)15-10-9-11(2)13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyQKUFEIOQCRCQMG-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
benzyl (2S,3R)-3-(hydroxymethyl)-2-phenylpyrrolidine-1-carboxylate
CID 167736790
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 141321691
benzyl (3S)-3-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 165003395
tert-butyl (3S)-2-(3-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 66684612
ethyl 1-methyl-1,3-dihydroisoindole-2-carboxylate
CID 126758255
(2R,3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carbothioic S-acid
CID 131712678
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
benzyl (2R,3R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
CID 175615543

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate (CID 165407566) is ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate is CCOC(=O)N1CCC(C)C1c1ccccc1.
What is the InChIKey of ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is QKUFEIOQCRCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14(16)15-10-9-11(2)13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3.
What are the key properties of ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate?
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 165407566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).