1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine

C19H30N2O — CID 138503515

IUPAC1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine
SMILESC1COC(N2CCCC2)C1.c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H15N.C8H15NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-2-6-9(5-1)8-4-3-7-10-8/h1-3,6-7H,4-5,8-10H2;8H,1-7H2
InChIKeySUNDADINLZDNJL-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.50
Rot. Bonds3

About 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine

1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine (PubChem CID 138503515) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine
PubChem CID138503515
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine
SMILESC1COC(N2CCCC2)C1.c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H15N.C8H15NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-2-6-9(5-1)8-4-3-7-10-8/h1-3,6-7H,4-5,8-10H2;8H,1-7H2
InChIKeySUNDADINLZDNJL-UHFFFAOYSA-N
XLogP3.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane
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1-benzyl-3-(oxan-2-yloxy)pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine?
The IUPAC name of 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine (CID 138503515) is 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine.
What is the SMILES notation for 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine?
The canonical SMILES for 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine is C1COC(N2CCCC2)C1.c1ccc(CN2CCCC2)cc1.
What is the InChIKey of 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine?
The InChIKey is SUNDADINLZDNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C8H15NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-2-6-9(5-1)8-4-3-7-10-8/h1-3,6-7H,4-5,8-10H2;8H,1-7H2.
What are the key properties of 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine?
1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine has a molecular weight of 302.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine is sourced from PubChem (CID 138503515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).