2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone

C9H16N2O — CID 130618835

IUPAC2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC1)N1CCCC1
InChIInChI=1S/C9H16N2O/c12-9(8-10-4-3-5-10)11-6-1-2-7-11/h1-8H2
InChIKeyIERDQMYOMKFDRZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.31
Rot. Bonds2

About 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone

2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 130618835) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID130618835
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC1)N1CCCC1
InChIInChI=1S/C9H16N2O/c12-9(8-10-4-3-5-10)11-6-1-2-7-11/h1-8H2
InChIKeyIERDQMYOMKFDRZ-UHFFFAOYSA-N
XLogP0.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
CID 141382858
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
3-amino-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119844153
2-(4-cyclopropylidenepiperidin-1-yl)-1-piperidin-1-ylethanone
CID 121184194
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone (CID 130618835) is 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone is O=C(CN1CCC1)N1CCCC1.
What is the InChIKey of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is IERDQMYOMKFDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(8-10-4-3-5-10)11-6-1-2-7-11/h1-8H2.
What are the key properties of 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 168.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 130618835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).