2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde

C11H14O3 — CID 85423798

IUPAC2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde
SMILESC=C1CCCC1C1OC(=O)CC1C=O
InChIInChI=1S/C11H14O3/c1-7-3-2-4-9(7)11-8(6-12)5-10(13)14-11/h6,8-9,11H,1-5H2
InChIKeyJKUGUVKNYJIXCS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.47
Rot. Bonds2

About 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde

2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde (PubChem CID 85423798) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde
PubChem CID85423798
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde
SMILESC=C1CCCC1C1OC(=O)CC1C=O
InChIInChI=1S/C11H14O3/c1-7-3-2-4-9(7)11-8(6-12)5-10(13)14-11/h6,8-9,11H,1-5H2
InChIKeyJKUGUVKNYJIXCS-UHFFFAOYSA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde?
The IUPAC name of 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde (CID 85423798) is 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde.
What is the SMILES notation for 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde?
The canonical SMILES for 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde is C=C1CCCC1C1OC(=O)CC1C=O.
What is the InChIKey of 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde?
The InChIKey is JKUGUVKNYJIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-3-2-4-9(7)11-8(6-12)5-10(13)14-11/h6,8-9,11H,1-5H2.
What are the key properties of 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde?
2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenecyclopentyl)-5-oxooxolane-3-carbaldehyde is sourced from PubChem (CID 85423798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).