1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine

C9H18N2 — CID 853152

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
SMILESC1CN[C@H](CN2CCCC2)C1
InChIInChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2/t9-/m0/s1
InChIKeyYLBWRMSQRFEIEB-VIFPVBQESA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds2

About 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine

1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine (PubChem CID 853152) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
PubChem CID853152
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
SMILESC1CN[C@H](CN2CCCC2)C1
InChIInChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2/t9-/m0/s1
InChIKeyYLBWRMSQRFEIEB-VIFPVBQESA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine (CID 853152) is 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine is C1CN[C@H](CN2CCCC2)C1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
The InChIKey is YLBWRMSQRFEIEB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2/t9-/m0/s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 853152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).