2-(2-methylcyclopenten-1-yl)acetaldehyde

C8H12O — CID 155069461

IUPAC2-(2-methylcyclopenten-1-yl)acetaldehyde
SMILESCC1=C(CC=O)CCC1
InChIInChI=1S/C8H12O/c1-7-3-2-4-8(7)5-6-9/h6H,2-5H2,1H3
InChIKeyFLYWBWPHASRCLK-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.08
Rot. Bonds2

About 2-(2-methylcyclopenten-1-yl)acetaldehyde

2-(2-methylcyclopenten-1-yl)acetaldehyde (PubChem CID 155069461) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-(2-methylcyclopenten-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methylcyclopenten-1-yl)acetaldehyde
PubChem CID155069461
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-(2-methylcyclopenten-1-yl)acetaldehyde
SMILESCC1=C(CC=O)CCC1
InChIInChI=1S/C8H12O/c1-7-3-2-4-8(7)5-6-9/h6H,2-5H2,1H3
InChIKeyFLYWBWPHASRCLK-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.08
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-(2-methylcyclopenten-1-yl)acetaldehyde?
The IUPAC name of 2-(2-methylcyclopenten-1-yl)acetaldehyde (CID 155069461) is 2-(2-methylcyclopenten-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methylcyclopenten-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-methylcyclopenten-1-yl)acetaldehyde is CC1=C(CC=O)CCC1.
What is the InChIKey of 2-(2-methylcyclopenten-1-yl)acetaldehyde?
The InChIKey is FLYWBWPHASRCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-3-2-4-8(7)5-6-9/h6H,2-5H2,1H3.
What are the key properties of 2-(2-methylcyclopenten-1-yl)acetaldehyde?
2-(2-methylcyclopenten-1-yl)acetaldehyde has a molecular weight of 124.18 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopenten-1-yl)acetaldehyde is sourced from PubChem (CID 155069461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).