3-cyclopentyl-2-oxopropanal

C8H12O2 — CID 154198194

IUPAC3-cyclopentyl-2-oxopropanal
SMILESO=CC(=O)CC1CCCC1
InChIInChI=1S/C8H12O2/c9-6-8(10)5-7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyYFFKGAPXXFLPHT-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.33
Rot. Bonds3

About 3-cyclopentyl-2-oxopropanal

3-cyclopentyl-2-oxopropanal (PubChem CID 154198194) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-cyclopentyl-2-oxopropanal.

Molecular Properties

Compound Name3-cyclopentyl-2-oxopropanal
PubChem CID154198194
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-cyclopentyl-2-oxopropanal
SMILESO=CC(=O)CC1CCCC1
InChIInChI=1S/C8H12O2/c9-6-8(10)5-7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyYFFKGAPXXFLPHT-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-oxopropanal?
The IUPAC name of 3-cyclopentyl-2-oxopropanal (CID 154198194) is 3-cyclopentyl-2-oxopropanal.
What is the SMILES notation for 3-cyclopentyl-2-oxopropanal?
The canonical SMILES for 3-cyclopentyl-2-oxopropanal is O=CC(=O)CC1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-oxopropanal?
The InChIKey is YFFKGAPXXFLPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-6-8(10)5-7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of 3-cyclopentyl-2-oxopropanal?
3-cyclopentyl-2-oxopropanal has a molecular weight of 140.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-oxopropanal is sourced from PubChem (CID 154198194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).