1-methyl-2-methylidenecyclobutane

C6H10 — CID 20800914

IUPAC1-methyl-2-methylidenecyclobutane
SMILESC=C1CCC1C
InChIInChI=1S/C6H10/c1-5-3-4-6(5)2/h6H,1,3-4H2,2H3
InChIKeyAILUPXBGQCMKNH-UHFFFAOYSA-N
MW82.15 g/mol
LogP1.97
Rot. Bonds

About 1-methyl-2-methylidenecyclobutane

1-methyl-2-methylidenecyclobutane (PubChem CID 20800914) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is 1-methyl-2-methylidenecyclobutane.

Molecular Properties

Compound Name1-methyl-2-methylidenecyclobutane
PubChem CID20800914
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name1-methyl-2-methylidenecyclobutane
SMILESC=C1CCC1C
InChIInChI=1S/C6H10/c1-5-3-4-6(5)2/h6H,1,3-4H2,2H3
InChIKeyAILUPXBGQCMKNH-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.97
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-2-methylidenecyclobutane?
The IUPAC name of 1-methyl-2-methylidenecyclobutane (CID 20800914) is 1-methyl-2-methylidenecyclobutane.
What is the SMILES notation for 1-methyl-2-methylidenecyclobutane?
The canonical SMILES for 1-methyl-2-methylidenecyclobutane is C=C1CCC1C.
What is the InChIKey of 1-methyl-2-methylidenecyclobutane?
The InChIKey is AILUPXBGQCMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-5-3-4-6(5)2/h6H,1,3-4H2,2H3.
What are the key properties of 1-methyl-2-methylidenecyclobutane?
1-methyl-2-methylidenecyclobutane has a molecular weight of 82.15 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidenecyclobutane is sourced from PubChem (CID 20800914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).