2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal

C9H15NO2 — CID 86658509

IUPAC2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal
SMILESCC(C)(C=O)CN1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,7-11)6-10-5-3-4-8(10)12/h7H,3-6H2,1-2H3
InChIKeyVJFCTKUVXMPGSI-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds3

About 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal

2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal (PubChem CID 86658509) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal
PubChem CID86658509
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal
SMILESCC(C)(C=O)CN1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,7-11)6-10-5-3-4-8(10)12/h7H,3-6H2,1-2H3
InChIKeyVJFCTKUVXMPGSI-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
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-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal (CID 86658509) is 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal is CC(C)(C=O)CN1CCCC1=O.
What is the InChIKey of 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal?
The InChIKey is VJFCTKUVXMPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,7-11)6-10-5-3-4-8(10)12/h7H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal?
2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal has a molecular weight of 169.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-oxopyrrolidin-1-yl)propanal is sourced from PubChem (CID 86658509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).