2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde

C13H15NO3 — CID 4992160

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C13H15NO3/c15-9-11-5-1-2-6-12(11)17-10-13(16)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyLIGWFZVNSDLFAJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde

2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde (PubChem CID 4992160) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
PubChem CID4992160
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C13H15NO3/c15-9-11-5-1-2-6-12(11)17-10-13(16)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyLIGWFZVNSDLFAJ-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde
CID 134037856
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 9009658
N-(2,6-dimethylphenyl)-2-[4-[2-(2-formylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 30834010
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 24569352
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
ethyl (E)-2-cyano-3-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoate
CID 166403515
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde (CID 4992160) is 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde is O=Cc1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
The InChIKey is LIGWFZVNSDLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-9-11-5-1-2-6-12(11)17-10-13(16)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2.
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde has a molecular weight of 233.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 4992160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).