1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone

C10H18N2O — CID 166860595

IUPAC1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCCC2)C1
InChIInChI=1S/C10H18N2O/c1-9(13)12-7-10(8-12)6-11-4-2-3-5-11/h10H,2-8H2,1H3
InChIKeyHLRQDCANMVIACH-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.56
Rot. Bonds2

About 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone

1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone (PubChem CID 166860595) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
PubChem CID166860595
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCCC2)C1
InChIInChI=1S/C10H18N2O/c1-9(13)12-7-10(8-12)6-11-4-2-3-5-11/h10H,2-8H2,1H3
InChIKeyHLRQDCANMVIACH-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
CID 130138001
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 156603230
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane
CID 171817554
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone (CID 166860595) is 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone is CC(=O)N1CC(CN2CCCC2)C1.
What is the InChIKey of 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone?
The InChIKey is HLRQDCANMVIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(13)12-7-10(8-12)6-11-4-2-3-5-11/h10H,2-8H2,1H3.
What are the key properties of 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone?
1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 166860595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).