1-methyl-3-(2-methylcyclopropylidene)cyclobutane

C9H14 — CID 22639280

IUPAC1-methyl-3-(2-methylcyclopropylidene)cyclobutane
SMILESCC1CC(=C2CC2C)C1
InChIInChI=1S/C9H14/c1-6-3-8(4-6)9-5-7(9)2/h6-7H,3-5H2,1-2H3/b9-8-
InChIKeyMBENBPONVBFUNZ-HJWRWDBZSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 1-methyl-3-(2-methylcyclopropylidene)cyclobutane

1-methyl-3-(2-methylcyclopropylidene)cyclobutane (PubChem CID 22639280) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-methyl-3-(2-methylcyclopropylidene)cyclobutane.

Molecular Properties

Compound Name1-methyl-3-(2-methylcyclopropylidene)cyclobutane
PubChem CID22639280
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-methyl-3-(2-methylcyclopropylidene)cyclobutane
SMILESCC1CC(=C2CC2C)C1
InChIInChI=1S/C9H14/c1-6-3-8(4-6)9-5-7(9)2/h6-7H,3-5H2,1-2H3/b9-8-
InChIKeyMBENBPONVBFUNZ-HJWRWDBZSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylcyclopropylidene)cyclobutane?
The IUPAC name of 1-methyl-3-(2-methylcyclopropylidene)cyclobutane (CID 22639280) is 1-methyl-3-(2-methylcyclopropylidene)cyclobutane.
What is the SMILES notation for 1-methyl-3-(2-methylcyclopropylidene)cyclobutane?
The canonical SMILES for 1-methyl-3-(2-methylcyclopropylidene)cyclobutane is CC1CC(=C2CC2C)C1.
What is the InChIKey of 1-methyl-3-(2-methylcyclopropylidene)cyclobutane?
The InChIKey is MBENBPONVBFUNZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H14/c1-6-3-8(4-6)9-5-7(9)2/h6-7H,3-5H2,1-2H3/b9-8-.
What are the key properties of 1-methyl-3-(2-methylcyclopropylidene)cyclobutane?
1-methyl-3-(2-methylcyclopropylidene)cyclobutane has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylcyclopropylidene)cyclobutane is sourced from PubChem (CID 22639280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).