2,3-dimethylcycloprop-2-ene-1-carbaldehyde

C6H8O — CID 12721589

IUPAC2,3-dimethylcycloprop-2-ene-1-carbaldehyde
SMILESCC1=C(C)C1C=O
InChIInChI=1S/C6H8O/c1-4-5(2)6(4)3-7/h3,6H,1-2H3
InChIKeyJJSQZROPSFMJFW-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.15
Rot. Bonds1

About 2,3-dimethylcycloprop-2-ene-1-carbaldehyde

2,3-dimethylcycloprop-2-ene-1-carbaldehyde (PubChem CID 12721589) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,3-dimethylcycloprop-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethylcycloprop-2-ene-1-carbaldehyde
PubChem CID12721589
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2,3-dimethylcycloprop-2-ene-1-carbaldehyde
SMILESCC1=C(C)C1C=O
InChIInChI=1S/C6H8O/c1-4-5(2)6(4)3-7/h3,6H,1-2H3
InChIKeyJJSQZROPSFMJFW-UHFFFAOYSA-N
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.15
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 2,3-dimethylcycloprop-2-ene-1-carbaldehyde?
The IUPAC name of 2,3-dimethylcycloprop-2-ene-1-carbaldehyde (CID 12721589) is 2,3-dimethylcycloprop-2-ene-1-carbaldehyde.
What is the SMILES notation for 2,3-dimethylcycloprop-2-ene-1-carbaldehyde?
The canonical SMILES for 2,3-dimethylcycloprop-2-ene-1-carbaldehyde is CC1=C(C)C1C=O.
What is the InChIKey of 2,3-dimethylcycloprop-2-ene-1-carbaldehyde?
The InChIKey is JJSQZROPSFMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-4-5(2)6(4)3-7/h3,6H,1-2H3.
What are the key properties of 2,3-dimethylcycloprop-2-ene-1-carbaldehyde?
2,3-dimethylcycloprop-2-ene-1-carbaldehyde has a molecular weight of 96.13 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcycloprop-2-ene-1-carbaldehyde is sourced from PubChem (CID 12721589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).