1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione

C12H20N2O3 — CID 102563287

IUPAC1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione
SMILESCCC1CCCN1C(=O)C(=O)N1CC(CO)C1
InChIInChI=1S/C12H20N2O3/c1-2-10-4-3-5-14(10)12(17)11(16)13-6-9(7-13)8-15/h9-10,15H,2-8H2,1H3
InChIKeyJSLXQDKVQHRLIP-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.16
Rot. Bonds2

About 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione

1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione (PubChem CID 102563287) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione
PubChem CID102563287
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione
SMILESCCC1CCCN1C(=O)C(=O)N1CC(CO)C1
InChIInChI=1S/C12H20N2O3/c1-2-10-4-3-5-14(10)12(17)11(16)13-6-9(7-13)8-15/h9-10,15H,2-8H2,1H3
InChIKeyJSLXQDKVQHRLIP-UHFFFAOYSA-N
XLogP-0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108523565
ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 14282319
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111543736
1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 60974700
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione (CID 102563287) is 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione is CCC1CCCN1C(=O)C(=O)N1CC(CO)C1.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione?
The InChIKey is JSLXQDKVQHRLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-10-4-3-5-14(10)12(17)11(16)13-6-9(7-13)8-15/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione?
1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione has a molecular weight of 240.30 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-2-[3-(hydroxymethyl)azetidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 102563287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).