phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate

C14H19NO2 — CID 83153077

IUPACphenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
SMILESCCC1CCC(C)N1C(=O)Oc1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-12-10-9-11(2)15(12)14(16)17-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3
InChIKeyQTUWYPPBIGJRNQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.45
Rot. Bonds2

About phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate

phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate (PubChem CID 83153077) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
PubChem CID83153077
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namephenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
SMILESCCC1CCC(C)N1C(=O)Oc1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-12-10-9-11(2)15(12)14(16)17-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3
InChIKeyQTUWYPPBIGJRNQ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate (CID 83153077) is phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate is CCC1CCC(C)N1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate?
The InChIKey is QTUWYPPBIGJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-12-10-9-11(2)15(12)14(16)17-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3.
What are the key properties of phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate?
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 83153077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).