1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine

C15H21NO — CID 3767461

IUPAC1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine
SMILESc1ccc(C2OCCC2CN2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-6-13(7-3-1)15-14(8-11-17-15)12-16-9-4-5-10-16/h1-3,6-7,14-15H,4-5,8-12H2
InChIKeyMRGGZMBKVRLAAR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.86
Rot. Bonds3

About 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine

1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine (PubChem CID 3767461) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine
PubChem CID3767461
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine
SMILESc1ccc(C2OCCC2CN2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-6-13(7-3-1)15-14(8-11-17-15)12-16-9-4-5-10-16/h1-3,6-7,14-15H,4-5,8-12H2
InChIKeyMRGGZMBKVRLAAR-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine (CID 3767461) is 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine is c1ccc(C2OCCC2CN2CCCC2)cc1.
What is the InChIKey of 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine?
The InChIKey is MRGGZMBKVRLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-13(7-3-1)15-14(8-11-17-15)12-16-9-4-5-10-16/h1-3,6-7,14-15H,4-5,8-12H2.
What are the key properties of 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine?
1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyloxolan-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 3767461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).