5-methylcyclopent-2-ene-1-carbaldehyde

C7H10O — CID 75994699

IUPAC5-methylcyclopent-2-ene-1-carbaldehyde
SMILESCC1CC=CC1C=O
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h2,4-7H,3H2,1H3
InChIKeySZQUXISVFWKGSH-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.40
Rot. Bonds1

About 5-methylcyclopent-2-ene-1-carbaldehyde

5-methylcyclopent-2-ene-1-carbaldehyde (PubChem CID 75994699) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-methylcyclopent-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name5-methylcyclopent-2-ene-1-carbaldehyde
PubChem CID75994699
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name5-methylcyclopent-2-ene-1-carbaldehyde
SMILESCC1CC=CC1C=O
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h2,4-7H,3H2,1H3
InChIKeySZQUXISVFWKGSH-UHFFFAOYSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.40
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 5-methylcyclopent-2-ene-1-carbaldehyde?
The IUPAC name of 5-methylcyclopent-2-ene-1-carbaldehyde (CID 75994699) is 5-methylcyclopent-2-ene-1-carbaldehyde.
What is the SMILES notation for 5-methylcyclopent-2-ene-1-carbaldehyde?
The canonical SMILES for 5-methylcyclopent-2-ene-1-carbaldehyde is CC1CC=CC1C=O.
What is the InChIKey of 5-methylcyclopent-2-ene-1-carbaldehyde?
The InChIKey is SZQUXISVFWKGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h2,4-7H,3H2,1H3.
What are the key properties of 5-methylcyclopent-2-ene-1-carbaldehyde?
5-methylcyclopent-2-ene-1-carbaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclopent-2-ene-1-carbaldehyde is sourced from PubChem (CID 75994699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).