1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde

C8H12N2O2 — CID 174587950

IUPAC1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde
SMILESO=CC1CCN1N1CCCC1=O
InChIInChI=1S/C8H12N2O2/c11-6-7-3-5-9(7)10-4-1-2-8(10)12/h6-7H,1-5H2
InChIKeyNLGRKVRPXQDHFN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.20
Rot. Bonds2

About 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde

1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde (PubChem CID 174587950) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde
PubChem CID174587950
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde
SMILESO=CC1CCN1N1CCCC1=O
InChIInChI=1S/C8H12N2O2/c11-6-7-3-5-9(7)10-4-1-2-8(10)12/h6-7H,1-5H2
InChIKeyNLGRKVRPXQDHFN-UHFFFAOYSA-N
XLogP-0.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde (CID 174587950) is 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde is O=CC1CCN1N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde?
The InChIKey is NLGRKVRPXQDHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-6-7-3-5-9(7)10-4-1-2-8(10)12/h6-7H,1-5H2.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde?
1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde has a molecular weight of 168.20 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)azetidine-2-carbaldehyde is sourced from PubChem (CID 174587950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).