1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one

C10H18N2O — CID 130530923

IUPAC1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
SMILESCCC1CC(=O)N(CC2CNC2)C1
InChIInChI=1S/C10H18N2O/c1-2-8-3-10(13)12(6-8)7-9-4-11-5-9/h8-9,11H,2-7H2,1H3
InChIKeyKKENFVQERRXQCE-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one

1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one (PubChem CID 130530923) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
PubChem CID130530923
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one
SMILESCCC1CC(=O)N(CC2CNC2)C1
InChIInChI=1S/C10H18N2O/c1-2-8-3-10(13)12(6-8)7-9-4-11-5-9/h8-9,11H,2-7H2,1H3
InChIKeyKKENFVQERRXQCE-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-2-oxopyrrolidin-1-yl)acetonitrile
CID 115825255
4-(hydroxymethyl)-1-(piperidin-3-ylmethyl)pyrrolidin-2-one
CID 168661808
3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
CID 115825252
4-ethyl-1-phosphanylpyrrolidin-2-one
CID 123863905
6-ethyl-1-methyl-1,4-diazepan-2-one
CID 135123090
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
1-(azetidin-3-ylmethyl)-4-methylpiperazine-2,3-dione
CID 130530892
4-(chloromethyl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507284
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672586
4-(chloromethyl)-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507094
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
CID 81150822

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one (CID 130530923) is 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one is CCC1CC(=O)N(CC2CNC2)C1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one?
The InChIKey is KKENFVQERRXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-8-3-10(13)12(6-8)7-9-4-11-5-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one?
1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 130530923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).