2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde

C10H15NO2 — CID 13117666

IUPAC2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1C1CCCC1=O
InChIInChI=1S/C10H15NO2/c12-7-11-6-2-4-9(11)8-3-1-5-10(8)13/h7-9H,1-6H2
InChIKeyCXBBZZKPANOROC-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde

2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde (PubChem CID 13117666) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde
PubChem CID13117666
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1C1CCCC1=O
InChIInChI=1S/C10H15NO2/c12-7-11-6-2-4-9(11)8-3-1-5-10(8)13/h7-9H,1-6H2
InChIKeyCXBBZZKPANOROC-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.98
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-oxocyclopentyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde (CID 13117666) is 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde is O=CN1CCCC1C1CCCC1=O.
What is the InChIKey of 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde?
The InChIKey is CXBBZZKPANOROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-7-11-6-2-4-9(11)8-3-1-5-10(8)13/h7-9H,1-6H2.
What are the key properties of 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde?
2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde has a molecular weight of 181.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocyclopentyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 13117666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).