1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane

C10H14 — CID 123346214

IUPAC1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane
SMILESC=C1C2C(C)C12CC=CC
InChIInChI=1S/C10H14/c1-4-5-6-10-7(2)9(10)8(10)3/h4-5,8-9H,2,6H2,1,3H3
InChIKeyCUCARBZMBBHRQM-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.77
Rot. Bonds2

About 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane

1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane (PubChem CID 123346214) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane
PubChem CID123346214
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane
SMILESC=C1C2C(C)C12CC=CC
InChIInChI=1S/C10H14/c1-4-5-6-10-7(2)9(10)8(10)3/h4-5,8-9H,2,6H2,1,3H3
InChIKeyCUCARBZMBBHRQM-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.77
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-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane?
The IUPAC name of 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane (CID 123346214) is 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane.
What is the SMILES notation for 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane?
The canonical SMILES for 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane is C=C1C2C(C)C12CC=CC.
What is the InChIKey of 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane?
The InChIKey is CUCARBZMBBHRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-5-6-10-7(2)9(10)8(10)3/h4-5,8-9H,2,6H2,1,3H3.
What are the key properties of 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane?
1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane has a molecular weight of 134.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-2-methyl-4-methylidenebicyclo[1.1.0]butane is sourced from PubChem (CID 123346214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).