1-methyl-2-(2-methylcyclopropyl)cyclobutene

C9H14 — CID 123306898

IUPAC1-methyl-2-(2-methylcyclopropyl)cyclobutene
SMILESCC1=C(C2CC2C)CC1
InChIInChI=1S/C9H14/c1-6-3-4-8(6)9-5-7(9)2/h7,9H,3-5H2,1-2H3
InChIKeyFDCYBTXBHXHQIX-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds1

About 1-methyl-2-(2-methylcyclopropyl)cyclobutene

1-methyl-2-(2-methylcyclopropyl)cyclobutene (PubChem CID 123306898) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-methyl-2-(2-methylcyclopropyl)cyclobutene.

Molecular Properties

Compound Name1-methyl-2-(2-methylcyclopropyl)cyclobutene
PubChem CID123306898
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-methyl-2-(2-methylcyclopropyl)cyclobutene
SMILESCC1=C(C2CC2C)CC1
InChIInChI=1S/C9H14/c1-6-3-4-8(6)9-5-7(9)2/h7,9H,3-5H2,1-2H3
InChIKeyFDCYBTXBHXHQIX-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Trimethylcyclohex-1-ene
CID 12537123
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
1-Hexyl-2-(3-methylbut-2-enyl)cyclopropane
CID 15457618
Tetramethyloctene
CID 18915868
Trimethylcycloheptene
CID 59796493
2,4-Dimethyl-1-propan-2-ylcyclohexene
CID 86080885
Dimethylethyl cyclohexene
CID 129726891
Tetramethylundecene
CID 156827842
1-(Isopropylidenecyclopropyl)hexane
CID 32479
1-(6-Fluorohexan-2-yl)-2-methylcyclobutene
CID 146419892
Cyclopentene, 1-isopropyl-2,3-dimethyl-
CID 565638

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylcyclopropyl)cyclobutene?
The IUPAC name of 1-methyl-2-(2-methylcyclopropyl)cyclobutene (CID 123306898) is 1-methyl-2-(2-methylcyclopropyl)cyclobutene.
What is the SMILES notation for 1-methyl-2-(2-methylcyclopropyl)cyclobutene?
The canonical SMILES for 1-methyl-2-(2-methylcyclopropyl)cyclobutene is CC1=C(C2CC2C)CC1.
What is the InChIKey of 1-methyl-2-(2-methylcyclopropyl)cyclobutene?
The InChIKey is FDCYBTXBHXHQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-3-4-8(6)9-5-7(9)2/h7,9H,3-5H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylcyclopropyl)cyclobutene?
1-methyl-2-(2-methylcyclopropyl)cyclobutene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylcyclopropyl)cyclobutene is sourced from PubChem (CID 123306898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).