2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde

C8H13NO2 — CID 90915318

IUPAC2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde
SMILESCC1CC(=O)N(CC=O)C1C
InChIInChI=1S/C8H13NO2/c1-6-5-8(11)9(3-4-10)7(6)2/h4,6-7H,3,5H2,1-2H3
InChIKeyJKTGBTNFEQVNCI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds2

About 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde

2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde (PubChem CID 90915318) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde
PubChem CID90915318
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde
SMILESCC1CC(=O)N(CC=O)C1C
InChIInChI=1S/C8H13NO2/c1-6-5-8(11)9(3-4-10)7(6)2/h4,6-7H,3,5H2,1-2H3
InChIKeyJKTGBTNFEQVNCI-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde (CID 90915318) is 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde is CC1CC(=O)N(CC=O)C1C.
What is the InChIKey of 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde?
The InChIKey is JKTGBTNFEQVNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-5-8(11)9(3-4-10)7(6)2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde?
2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-5-oxopyrrolidin-1-yl)acetaldehyde is sourced from PubChem (CID 90915318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).