2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde

C10H16N2O2 — CID 105450040

IUPAC2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde
SMILESO=CCN1CCC(=O)N1C1CCCC1
InChIInChI=1S/C10H16N2O2/c13-8-7-11-6-5-10(14)12(11)9-3-1-2-4-9/h8-9H,1-7H2
InChIKeyVJJXRVZPSLMWKO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds3

About 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde

2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde (PubChem CID 105450040) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde
PubChem CID105450040
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde
SMILESO=CCN1CCC(=O)N1C1CCCC1
InChIInChI=1S/C10H16N2O2/c13-8-7-11-6-5-10(14)12(11)9-3-1-2-4-9/h8-9H,1-7H2
InChIKeyVJJXRVZPSLMWKO-UHFFFAOYSA-N
XLogP0.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
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 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde (CID 105450040) is 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde is O=CCN1CCC(=O)N1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde?
The InChIKey is VJJXRVZPSLMWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-8-7-11-6-5-10(14)12(11)9-3-1-2-4-9/h8-9H,1-7H2.
What are the key properties of 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde?
2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde has a molecular weight of 196.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde is sourced from PubChem (CID 105450040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).