butyl formate;3-phenylpyrrolidine

C15H23NO2 — CID 87716907

IUPACbutyl formate;3-phenylpyrrolidine
SMILESCCCCOC=O.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13N.C5H10O2/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2-3-4-7-5-6/h1-5,10-11H,6-8H2;5H,2-4H2,1H3
InChIKeyBHBHIUSGDYMYIL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds5

About butyl formate;3-phenylpyrrolidine

butyl formate;3-phenylpyrrolidine (PubChem CID 87716907) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is butyl formate;3-phenylpyrrolidine.

Molecular Properties

Compound Namebutyl formate;3-phenylpyrrolidine
PubChem CID87716907
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebutyl formate;3-phenylpyrrolidine
SMILESCCCCOC=O.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13N.C5H10O2/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2-3-4-7-5-6/h1-5,10-11H,6-8H2;5H,2-4H2,1H3
InChIKeyBHBHIUSGDYMYIL-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl formate;3-phenylpyrrolidine?
The IUPAC name of butyl formate;3-phenylpyrrolidine (CID 87716907) is butyl formate;3-phenylpyrrolidine.
What is the SMILES notation for butyl formate;3-phenylpyrrolidine?
The canonical SMILES for butyl formate;3-phenylpyrrolidine is CCCCOC=O.c1ccc(C2CCNC2)cc1.
What is the InChIKey of butyl formate;3-phenylpyrrolidine?
The InChIKey is BHBHIUSGDYMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C5H10O2/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2-3-4-7-5-6/h1-5,10-11H,6-8H2;5H,2-4H2,1H3.
What are the key properties of butyl formate;3-phenylpyrrolidine?
butyl formate;3-phenylpyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl formate;3-phenylpyrrolidine is sourced from PubChem (CID 87716907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).