1-benzylpyrrolidine;propane

C14H23N — CID 143692089

IUPAC1-benzylpyrrolidine;propane
SMILESCCC.c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H15N.C3H8/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-3-2/h1-3,6-7H,4-5,8-10H2;3H2,1-2H3
InChIKeyOCJBRAYVVBAYSF-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.70
Rot. Bonds2

About 1-benzylpyrrolidine;propane

1-benzylpyrrolidine;propane (PubChem CID 143692089) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-benzylpyrrolidine;propane.

Molecular Properties

Compound Name1-benzylpyrrolidine;propane
PubChem CID143692089
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-benzylpyrrolidine;propane
SMILESCCC.c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C11H15N.C3H8/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-3-2/h1-3,6-7H,4-5,8-10H2;3H2,1-2H3
InChIKeyOCJBRAYVVBAYSF-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidine;propane?
The IUPAC name of 1-benzylpyrrolidine;propane (CID 143692089) is 1-benzylpyrrolidine;propane.
What is the SMILES notation for 1-benzylpyrrolidine;propane?
The canonical SMILES for 1-benzylpyrrolidine;propane is CCC.c1ccc(CN2CCCC2)cc1.
What is the InChIKey of 1-benzylpyrrolidine;propane?
The InChIKey is OCJBRAYVVBAYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C3H8/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-3-2/h1-3,6-7H,4-5,8-10H2;3H2,1-2H3.
What are the key properties of 1-benzylpyrrolidine;propane?
1-benzylpyrrolidine;propane has a molecular weight of 205.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrrolidine;propane is sourced from PubChem (CID 143692089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).