3-(azetidin-1-yl)-3-methylpyrrolidine

C8H16N2 — CID 131500243

IUPAC3-(azetidin-1-yl)-3-methylpyrrolidine
SMILESCC1(N2CCC2)CCNC1
InChIInChI=1S/C8H16N2/c1-8(3-4-9-7-8)10-5-2-6-10/h9H,2-7H2,1H3
InChIKeyMQCJPQPHJZXNRB-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds1

About 3-(azetidin-1-yl)-3-methylpyrrolidine

3-(azetidin-1-yl)-3-methylpyrrolidine (PubChem CID 131500243) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-3-methylpyrrolidine
PubChem CID131500243
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-(azetidin-1-yl)-3-methylpyrrolidine
SMILESCC1(N2CCC2)CCNC1
InChIInChI=1S/C8H16N2/c1-8(3-4-9-7-8)10-5-2-6-10/h9H,2-7H2,1H3
InChIKeyMQCJPQPHJZXNRB-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-3-methylpyrrolidine?
The IUPAC name of 3-(azetidin-1-yl)-3-methylpyrrolidine (CID 131500243) is 3-(azetidin-1-yl)-3-methylpyrrolidine.
What is the SMILES notation for 3-(azetidin-1-yl)-3-methylpyrrolidine?
The canonical SMILES for 3-(azetidin-1-yl)-3-methylpyrrolidine is CC1(N2CCC2)CCNC1.
What is the InChIKey of 3-(azetidin-1-yl)-3-methylpyrrolidine?
The InChIKey is MQCJPQPHJZXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(3-4-9-7-8)10-5-2-6-10/h9H,2-7H2,1H3.
What are the key properties of 3-(azetidin-1-yl)-3-methylpyrrolidine?
3-(azetidin-1-yl)-3-methylpyrrolidine has a molecular weight of 140.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-3-methylpyrrolidine is sourced from PubChem (CID 131500243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).