oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine

C21H25NO5 — CID 2924242

IUPACoxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCCC2)cc1
InChIInChI=1S/C19H23NO.C2H2O4/c1-2-9-17(10-3-1)18-11-4-5-12-19(18)21-16-8-15-20-13-6-7-14-20;3-1(4)2(5)6/h1-5,9-12H,6-8,13-16H2;(H,3,4)(H,5,6)
InChIKeyOODMTNCFZQPBGB-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.37
Rot. Bonds6

About oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine

oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine (PubChem CID 2924242) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Nameoxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine
PubChem CID2924242
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Nameoxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCCC2)cc1
InChIInChI=1S/C19H23NO.C2H2O4/c1-2-9-17(10-3-1)18-11-4-5-12-19(18)21-16-8-15-20-13-6-7-14-20;3-1(4)2(5)6/h1-5,9-12H,6-8,13-16H2;(H,3,4)(H,5,6)
InChIKeyOODMTNCFZQPBGB-UHFFFAOYSA-N
XLogP3.37
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine?
The IUPAC name of oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine (CID 2924242) is oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine?
The canonical SMILES for oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine is O=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCCC2)cc1.
What is the InChIKey of oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine?
The InChIKey is OODMTNCFZQPBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.C2H2O4/c1-2-9-17(10-3-1)18-11-4-5-12-19(18)21-16-8-15-20-13-6-7-14-20;3-1(4)2(5)6/h1-5,9-12H,6-8,13-16H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine?
oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine has a molecular weight of 371.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[3-(2-phenylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 2924242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).