2-methylbicyclo[2.1.0]pent-1(4)-ene

C6H8 — CID 19994357

IUPAC2-methylbicyclo[2.1.0]pent-1(4)-ene
SMILESCC1CC2=C1C2
InChIInChI=1S/C6H8/c1-4-2-5-3-6(4)5/h4H,2-3H2,1H3
InChIKeyFJMMZRODNTXKPO-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.73
Rot. Bonds

About 2-methylbicyclo[2.1.0]pent-1(4)-ene

2-methylbicyclo[2.1.0]pent-1(4)-ene (PubChem CID 19994357) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 2-methylbicyclo[2.1.0]pent-1(4)-ene.

Molecular Properties

Compound Name2-methylbicyclo[2.1.0]pent-1(4)-ene
PubChem CID19994357
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name2-methylbicyclo[2.1.0]pent-1(4)-ene
SMILESCC1CC2=C1C2
InChIInChI=1S/C6H8/c1-4-2-5-3-6(4)5/h4H,2-3H2,1H3
InChIKeyFJMMZRODNTXKPO-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.73
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-methylbicyclo[2.1.0]pent-1(4)-ene?
The IUPAC name of 2-methylbicyclo[2.1.0]pent-1(4)-ene (CID 19994357) is 2-methylbicyclo[2.1.0]pent-1(4)-ene.
What is the SMILES notation for 2-methylbicyclo[2.1.0]pent-1(4)-ene?
The canonical SMILES for 2-methylbicyclo[2.1.0]pent-1(4)-ene is CC1CC2=C1C2.
What is the InChIKey of 2-methylbicyclo[2.1.0]pent-1(4)-ene?
The InChIKey is FJMMZRODNTXKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-4-2-5-3-6(4)5/h4H,2-3H2,1H3.
What are the key properties of 2-methylbicyclo[2.1.0]pent-1(4)-ene?
2-methylbicyclo[2.1.0]pent-1(4)-ene has a molecular weight of 80.13 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[2.1.0]pent-1(4)-ene is sourced from PubChem (CID 19994357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).