2-cyclopent-3-en-1-ylacetaldehyde

C7H10O — CID 11804701

IUPAC2-cyclopent-3-en-1-ylacetaldehyde
SMILESO=CCC1CC=CC1
InChIInChI=1S/C7H10O/c8-6-5-7-3-1-2-4-7/h1-2,6-7H,3-5H2
InChIKeyKMTDBJYJLPMQIB-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds2

About 2-cyclopent-3-en-1-ylacetaldehyde

2-cyclopent-3-en-1-ylacetaldehyde (PubChem CID 11804701) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-ylacetaldehyde.

Molecular Properties

Compound Name2-cyclopent-3-en-1-ylacetaldehyde
PubChem CID11804701
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-cyclopent-3-en-1-ylacetaldehyde
SMILESO=CCC1CC=CC1
InChIInChI=1S/C7H10O/c8-6-5-7-3-1-2-4-7/h1-2,6-7H,3-5H2
InChIKeyKMTDBJYJLPMQIB-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclopent-3-en-1-ylacetaldehyde?
The IUPAC name of 2-cyclopent-3-en-1-ylacetaldehyde (CID 11804701) is 2-cyclopent-3-en-1-ylacetaldehyde.
What is the SMILES notation for 2-cyclopent-3-en-1-ylacetaldehyde?
The canonical SMILES for 2-cyclopent-3-en-1-ylacetaldehyde is O=CCC1CC=CC1.
What is the InChIKey of 2-cyclopent-3-en-1-ylacetaldehyde?
The InChIKey is KMTDBJYJLPMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-6-5-7-3-1-2-4-7/h1-2,6-7H,3-5H2.
What are the key properties of 2-cyclopent-3-en-1-ylacetaldehyde?
2-cyclopent-3-en-1-ylacetaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-ylacetaldehyde is sourced from PubChem (CID 11804701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).