1-methyl-3-(2-methylcyclopropyl)cyclopropene

C8H12 — CID 564502

IUPAC1-methyl-3-(2-methylcyclopropyl)cyclopropene
SMILESCC1=CC1C1CC1C
InChIInChI=1S/C8H12/c1-5-3-7(5)8-4-6(8)2/h3,6-8H,4H2,1-2H3
InChIKeyCAZBZVWVZMXTPB-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds1

About 1-methyl-3-(2-methylcyclopropyl)cyclopropene

1-methyl-3-(2-methylcyclopropyl)cyclopropene (PubChem CID 564502) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-methyl-3-(2-methylcyclopropyl)cyclopropene.

Molecular Properties

Compound Name1-methyl-3-(2-methylcyclopropyl)cyclopropene
PubChem CID564502
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-methyl-3-(2-methylcyclopropyl)cyclopropene
SMILESCC1=CC1C1CC1C
InChIInChI=1S/C8H12/c1-5-3-7(5)8-4-6(8)2/h3,6-8H,4H2,1-2H3
InChIKeyCAZBZVWVZMXTPB-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.22
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-methyl-3-(2-methylcyclopropyl)cyclopropene?
The IUPAC name of 1-methyl-3-(2-methylcyclopropyl)cyclopropene (CID 564502) is 1-methyl-3-(2-methylcyclopropyl)cyclopropene.
What is the SMILES notation for 1-methyl-3-(2-methylcyclopropyl)cyclopropene?
The canonical SMILES for 1-methyl-3-(2-methylcyclopropyl)cyclopropene is CC1=CC1C1CC1C.
What is the InChIKey of 1-methyl-3-(2-methylcyclopropyl)cyclopropene?
The InChIKey is CAZBZVWVZMXTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-3-7(5)8-4-6(8)2/h3,6-8H,4H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylcyclopropyl)cyclopropene?
1-methyl-3-(2-methylcyclopropyl)cyclopropene has a molecular weight of 108.18 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylcyclopropyl)cyclopropene is sourced from PubChem (CID 564502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).