2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde

C7H11NO2 — CID 58689344

IUPAC2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde
SMILESCC1CCN(CC=O)C1=O
InChIInChI=1S/C7H11NO2/c1-6-2-3-8(4-5-9)7(6)10/h5-6H,2-4H2,1H3
InChIKeySVKWWRWJSYHIBG-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.05
Rot. Bonds2

About 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde

2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde (PubChem CID 58689344) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde
PubChem CID58689344
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde
SMILESCC1CCN(CC=O)C1=O
InChIInChI=1S/C7H11NO2/c1-6-2-3-8(4-5-9)7(6)10/h5-6H,2-4H2,1H3
InChIKeySVKWWRWJSYHIBG-UHFFFAOYSA-N
XLogP0.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dioxo-1-pyrrolidineacetaldehyde
CID 18769597
1-Acetylpyrrolidine-3-carbaldehyde
CID 20758845
2-[(4S)-4-(fluoromethyl)-2-oxopyrrolidin-1-yl]acetaldehyde
CID 88286620
N-(2,2-Dimethyl-3-oxopropyl)-pyrrolidin-2-one
CID 86658509
1-Methyl-2-oxo-3-pyrrolidinecarboxaldehyde
CID 12209892
(2-Oxopyrrolidin-1-yl)acetaldehyde
CID 22405515
2-(2,5-Dioxopyrrolidin-1-yl)propanal
CID 23028466
N,3-dimethyl-N-(2-oxoethyl)butanamide
CID 28272222
2-(2-Oxopyrrolidin-1-yl)propanal
CID 57174246
1,4-Dimethylpyrrolidine-2,3-dione
CID 57641204
2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)acetaldehyde
CID 57884673
3-(3-Methyl-2,5-dioxopyrrolidin-1-yl)propanal
CID 58233681

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde (CID 58689344) is 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde is CC1CCN(CC=O)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde?
The InChIKey is SVKWWRWJSYHIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-2-3-8(4-5-9)7(6)10/h5-6H,2-4H2,1H3.
What are the key properties of 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde?
2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde has a molecular weight of 141.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde is sourced from PubChem (CID 58689344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).