2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde

C10H14O — CID 23598543

IUPAC2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde
SMILESC=CCC1(CC=O)C=CCC1
InChIInChI=1S/C10H14O/c1-2-5-10(8-9-11)6-3-4-7-10/h2-3,6,9H,1,4-5,7-8H2
InChIKeyWTEZHUUOMRQJER-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds4

About 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde

2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde (PubChem CID 23598543) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde
PubChem CID23598543
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde
SMILESC=CCC1(CC=O)C=CCC1
InChIInChI=1S/C10H14O/c1-2-5-10(8-9-11)6-3-4-7-10/h2-3,6,9H,1,4-5,7-8H2
InChIKeyWTEZHUUOMRQJER-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
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-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde?
The IUPAC name of 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde (CID 23598543) is 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde.
What is the SMILES notation for 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde?
The canonical SMILES for 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde is C=CCC1(CC=O)C=CCC1.
What is the InChIKey of 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde?
The InChIKey is WTEZHUUOMRQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-5-10(8-9-11)6-3-4-7-10/h2-3,6,9H,1,4-5,7-8H2.
What are the key properties of 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde?
2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylcyclopent-2-en-1-yl)acetaldehyde is sourced from PubChem (CID 23598543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).