2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one

C12H22N2O — CID 116678920

IUPAC2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)C(C)C2CNC2)C1
InChIInChI=1S/C12H22N2O/c1-3-10-4-5-14(8-10)12(15)9(2)11-6-13-7-11/h9-11,13H,3-8H2,1-2H3
InChIKeyIGZXEBQBQNWVKN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one

2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one (PubChem CID 116678920) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
PubChem CID116678920
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)C(C)C2CNC2)C1
InChIInChI=1S/C12H22N2O/c1-3-10-4-5-14(8-10)12(15)9(2)11-6-13-7-11/h9-11,13H,3-8H2,1-2H3
InChIKeyIGZXEBQBQNWVKN-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991
2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
2-(azetidin-3-yl)-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 116676746
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115686899
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
CID 83147525
2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 116677760
2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81478302
2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
CID 116677899
2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 116674572
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one (CID 116678920) is 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one is CCC1CCN(C(=O)C(C)C2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is IGZXEBQBQNWVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-10-4-5-14(8-10)12(15)9(2)11-6-13-7-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 116678920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).