2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde

C13H15NO3 — CID 8022541

IUPAC2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C13H15NO3/c15-10-11-4-1-2-5-12(11)17-9-8-14-7-3-6-13(14)16/h1-2,4-5,10H,3,6-9H2
InChIKeyJXTAKYWQZDOYQC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.50
Rot. Bonds5

About 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde

2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde (PubChem CID 8022541) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde
PubChem CID8022541
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C13H15NO3/c15-10-11-4-1-2-5-12(11)17-9-8-14-7-3-6-13(14)16/h1-2,4-5,10H,3,6-9H2
InChIKeyJXTAKYWQZDOYQC-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

Ketocaine
CID 68946
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
CID 2356198
3-[2-(2-Oxo-pyrrolidin-1-yl)-ethoxy]-benzoic acid
CID 6498770
1-(4-Pentoxyphenyl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 9208868
2-[2-(2-Oxo-pyrrolidin-1-yl)-ethoxy]-benzoic acid
CID 6485816
2-Ethoxy-N,N-diethylbenzamide
CID 77268
Acetophenone, 4'-pyrrolidinylcarbonylmethoxy-
CID 39088
4-(2-(Pyrrolidin-1-yl)ethoxy)benzaldehyde
CID 976844
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide
CID 2346191
4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]benzaldehyde
CID 6502012
6-(2-Pyrrolidin-1-ylethoxy)chromen-4-one
CID 141317764
2-[2-(Acetyloxy)benzoyloxy]-N,N-diethylacetamide
CID 15616252

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde (CID 8022541) is 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde is O=Cc1ccccc1OCCN1CCCC1=O.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde?
The InChIKey is JXTAKYWQZDOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-10-11-4-1-2-5-12(11)17-9-8-14-7-3-6-13(14)16/h1-2,4-5,10H,3,6-9H2.
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde?
2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde has a molecular weight of 233.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 8022541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).