azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C11H20N2O — CID 83227277

IUPACazetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)C1CNC1
InChIInChI=1S/C11H20N2O/c1-3-10-5-4-8(2)13(10)11(14)9-6-12-7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyJMVOGKHKPCZCDN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds2

About azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83227277) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83227277
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameazetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)C1CNC1
InChIInChI=1S/C11H20N2O/c1-3-10-5-4-8(2)13(10)11(14)9-6-12-7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyJMVOGKHKPCZCDN-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83227277) is azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)C1CNC1.
What is the InChIKey of azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is JMVOGKHKPCZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-10-5-4-8(2)13(10)11(14)9-6-12-7-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 196.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83227277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).