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

C11H18N2O2 — CID 105464244

IUPAC3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal
SMILESO=CCCN1CCC(=O)N1C1CCCC1
InChIInChI=1S/C11H18N2O2/c14-9-3-7-12-8-6-11(15)13(12)10-4-1-2-5-10/h9-10H,1-8H2
InChIKeyBNIDQKVDGXTQSW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.97
Rot. Bonds4

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

3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal (PubChem CID 105464244) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal.

Molecular Properties

Compound Name3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal
PubChem CID105464244
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal
SMILESO=CCCN1CCC(=O)N1C1CCCC1
InChIInChI=1S/C11H18N2O2/c14-9-3-7-12-8-6-11(15)13(12)10-4-1-2-5-10/h9-10H,1-8H2
InChIKeyBNIDQKVDGXTQSW-UHFFFAOYSA-N
XLogP0.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde
CID 105450040
1-(2-aminoethyl)-2-cyclobutylpyrazolidin-3-one
CID 105440757
3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal
CID 84781306
2-cyclopropyl-1-piperidin-3-ylpyrazolidin-3-one
CID 105463278
3-(4-cyclopropylpiperazin-1-yl)propanal
CID 63039588
1-ethyl-2-piperidin-4-yldiazinan-3-one
CID 105465335
3-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]propanal
CID 130633012
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propanal
CID 63150721
1-cycloundecylpiperidine-2,6-dione
CID 166752718
3-[4-(1-methylpiperidin-4-yl)-3-oxopiperazin-1-yl]propanal
CID 142004870
3-(3-oxooxazinan-2-yl)propanal
CID 105430622
3-(3-methyl-2-oxoimidazol-1-yl)propanal
CID 80581435

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal?
The IUPAC name of 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal (CID 105464244) is 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal.
What is the SMILES notation for 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal?
The canonical SMILES for 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal is O=CCCN1CCC(=O)N1C1CCCC1.
What is the InChIKey of 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal?
The InChIKey is BNIDQKVDGXTQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-9-3-7-12-8-6-11(15)13(12)10-4-1-2-5-10/h9-10H,1-8H2.
What are the key properties of 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal?
3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal has a molecular weight of 210.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-3-oxopyrazolidin-1-yl)propanal is sourced from PubChem (CID 105464244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).