2-methylspiro[2.2]pent-1-ene

C6H8 — CID 123942912

IUPAC2-methylspiro[2.2]pent-1-ene
SMILESCC1=CC12CC2
InChIInChI=1S/C6H8/c1-5-4-6(5)2-3-6/h4H,2-3H2,1H3
InChIKeyQYOBLJMFKWSHQP-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.73
Rot. Bonds

About 2-methylspiro[2.2]pent-1-ene

2-methylspiro[2.2]pent-1-ene (PubChem CID 123942912) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 2-methylspiro[2.2]pent-1-ene.

Molecular Properties

Compound Name2-methylspiro[2.2]pent-1-ene
PubChem CID123942912
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name2-methylspiro[2.2]pent-1-ene
SMILESCC1=CC12CC2
InChIInChI=1S/C6H8/c1-5-4-6(5)2-3-6/h4H,2-3H2,1H3
InChIKeyQYOBLJMFKWSHQP-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-methylspiro[2.2]pent-1-ene?
The IUPAC name of 2-methylspiro[2.2]pent-1-ene (CID 123942912) is 2-methylspiro[2.2]pent-1-ene.
What is the SMILES notation for 2-methylspiro[2.2]pent-1-ene?
The canonical SMILES for 2-methylspiro[2.2]pent-1-ene is CC1=CC12CC2.
What is the InChIKey of 2-methylspiro[2.2]pent-1-ene?
The InChIKey is QYOBLJMFKWSHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-5-4-6(5)2-3-6/h4H,2-3H2,1H3.
What are the key properties of 2-methylspiro[2.2]pent-1-ene?
2-methylspiro[2.2]pent-1-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-methylspiro[2.2]pent-1-ene is sourced from PubChem (CID 123942912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).