1,3-dimethylcyclopropene

C5H8 — CID 14970559

IUPAC1,3-dimethylcyclopropene
SMILESCC1=CC1C
InChIInChI=1S/C5H8/c1-4-3-5(4)2/h3-4H,1-2H3
InChIKeySSFOZRFKIOXSEL-UHFFFAOYSA-N
MW68.12 g/mol
LogP1.58
Rot. Bonds

About 1,3-dimethylcyclopropene

1,3-dimethylcyclopropene (PubChem CID 14970559) has the molecular formula C5H8 and a molecular weight of 68.12 g/mol. Its IUPAC name is 1,3-dimethylcyclopropene.

Molecular Properties

Compound Name1,3-dimethylcyclopropene
PubChem CID14970559
Molecular FormulaC5H8
Molecular Weight68.12 g/mol
Exact Mass68.06
IUPAC Name1,3-dimethylcyclopropene
SMILESCC1=CC1C
InChIInChI=1S/C5H8/c1-4-3-5(4)2/h3-4H,1-2H3
InChIKeySSFOZRFKIOXSEL-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.12
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclopropene?
The IUPAC name of 1,3-dimethylcyclopropene (CID 14970559) is 1,3-dimethylcyclopropene.
What is the SMILES notation for 1,3-dimethylcyclopropene?
The canonical SMILES for 1,3-dimethylcyclopropene is CC1=CC1C.
What is the InChIKey of 1,3-dimethylcyclopropene?
The InChIKey is SSFOZRFKIOXSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8/c1-4-3-5(4)2/h3-4H,1-2H3.
What are the key properties of 1,3-dimethylcyclopropene?
1,3-dimethylcyclopropene has a molecular weight of 68.12 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclopropene is sourced from PubChem (CID 14970559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).