1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde

C12H16N2O4 — CID 22035597

IUPAC1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
SMILESO=CC1CC(=O)N(CCN2CC(C=O)CC2=O)C1
InChIInChI=1S/C12H16N2O4/c15-7-9-3-11(17)13(5-9)1-2-14-6-10(8-16)4-12(14)18/h7-10H,1-6H2
InChIKeyUWEMNBMMQXCNTR-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.92
Rot. Bonds5

About 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde

1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde (PubChem CID 22035597) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
PubChem CID22035597
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
SMILESO=CC1CC(=O)N(CCN2CC(C=O)CC2=O)C1
InChIInChI=1S/C12H16N2O4/c15-7-9-3-11(17)13(5-9)1-2-14-6-10(8-16)4-12(14)18/h7-10H,1-6H2
InChIKeyUWEMNBMMQXCNTR-UHFFFAOYSA-N
XLogP-0.92
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde?
The IUPAC name of 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde (CID 22035597) is 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde is O=CC1CC(=O)N(CCN2CC(C=O)CC2=O)C1.
What is the InChIKey of 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde?
The InChIKey is UWEMNBMMQXCNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-7-9-3-11(17)13(5-9)1-2-14-6-10(8-16)4-12(14)18/h7-10H,1-6H2.
What are the key properties of 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde?
1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of -0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde is sourced from PubChem (CID 22035597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).