2-methyl-4-pyrrolidin-1-ylpyrrolidine

C9H18N2 — CID 119031048

IUPAC2-methyl-4-pyrrolidin-1-ylpyrrolidine
SMILESCC1CC(N2CCCC2)CN1
InChIInChI=1S/C9H18N2/c1-8-6-9(7-10-8)11-4-2-3-5-11/h8-10H,2-7H2,1H3
InChIKeyCMBGIRGMEDANQP-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About 2-methyl-4-pyrrolidin-1-ylpyrrolidine

2-methyl-4-pyrrolidin-1-ylpyrrolidine (PubChem CID 119031048) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-ylpyrrolidine
PubChem CID119031048
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-4-pyrrolidin-1-ylpyrrolidine
SMILESCC1CC(N2CCCC2)CN1
InChIInChI=1S/C9H18N2/c1-8-6-9(7-10-8)11-4-2-3-5-11/h8-10H,2-7H2,1H3
InChIKeyCMBGIRGMEDANQP-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-methyl-4-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 2-methyl-4-pyrrolidin-1-ylpyrrolidine (CID 119031048) is 2-methyl-4-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-ylpyrrolidine is CC1CC(N2CCCC2)CN1.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-ylpyrrolidine?
The InChIKey is CMBGIRGMEDANQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-6-9(7-10-8)11-4-2-3-5-11/h8-10H,2-7H2,1H3.
What are the key properties of 2-methyl-4-pyrrolidin-1-ylpyrrolidine?
2-methyl-4-pyrrolidin-1-ylpyrrolidine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 119031048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).