3-methylcyclopenta-2,4-diene-1-carbaldehyde

C7H8O — CID 131862306

IUPAC3-methylcyclopenta-2,4-diene-1-carbaldehyde
SMILESCC1=CC(C=O)C=C1
InChIInChI=1S/C7H8O/c1-6-2-3-7(4-6)5-8/h2-5,7H,1H3
InChIKeyNPLIHVFUEGROSQ-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.32
Rot. Bonds1

About 3-methylcyclopenta-2,4-diene-1-carbaldehyde

3-methylcyclopenta-2,4-diene-1-carbaldehyde (PubChem CID 131862306) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-methylcyclopenta-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name3-methylcyclopenta-2,4-diene-1-carbaldehyde
PubChem CID131862306
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name3-methylcyclopenta-2,4-diene-1-carbaldehyde
SMILESCC1=CC(C=O)C=C1
InChIInChI=1S/C7H8O/c1-6-2-3-7(4-6)5-8/h2-5,7H,1H3
InChIKeyNPLIHVFUEGROSQ-UHFFFAOYSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopenta-2,4-diene-1-carbaldehyde?
The IUPAC name of 3-methylcyclopenta-2,4-diene-1-carbaldehyde (CID 131862306) is 3-methylcyclopenta-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 3-methylcyclopenta-2,4-diene-1-carbaldehyde?
The canonical SMILES for 3-methylcyclopenta-2,4-diene-1-carbaldehyde is CC1=CC(C=O)C=C1.
What is the InChIKey of 3-methylcyclopenta-2,4-diene-1-carbaldehyde?
The InChIKey is NPLIHVFUEGROSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6-2-3-7(4-6)5-8/h2-5,7H,1H3.
What are the key properties of 3-methylcyclopenta-2,4-diene-1-carbaldehyde?
3-methylcyclopenta-2,4-diene-1-carbaldehyde has a molecular weight of 108.14 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopenta-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 131862306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).