2-methyl-1-prop-1-enylbicyclo[1.1.0]butane

C8H12 — CID 123286509

IUPAC2-methyl-1-prop-1-enylbicyclo[1.1.0]butane
SMILESCC=CC12CC1C2C
InChIInChI=1S/C8H12/c1-3-4-8-5-7(8)6(8)2/h3-4,6-7H,5H2,1-2H3
InChIKeyLZMBJFDIWWOBDF-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane

2-methyl-1-prop-1-enylbicyclo[1.1.0]butane (PubChem CID 123286509) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-methyl-1-prop-1-enylbicyclo[1.1.0]butane
PubChem CID123286509
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-methyl-1-prop-1-enylbicyclo[1.1.0]butane
SMILESCC=CC12CC1C2C
InChIInChI=1S/C8H12/c1-3-4-8-5-7(8)6(8)2/h3-4,6-7H,5H2,1-2H3
InChIKeyLZMBJFDIWWOBDF-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 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane?
The IUPAC name of 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane (CID 123286509) is 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane?
The canonical SMILES for 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane is CC=CC12CC1C2C.
What is the InChIKey of 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane?
The InChIKey is LZMBJFDIWWOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-4-8-5-7(8)6(8)2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane?
2-methyl-1-prop-1-enylbicyclo[1.1.0]butane 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 2-methyl-1-prop-1-enylbicyclo[1.1.0]butane is sourced from PubChem (CID 123286509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).