2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane

C9H14 — CID 91566423

IUPAC2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane
SMILESC=C1CC2CC12C(C)C
InChIInChI=1S/C9H14/c1-6(2)9-5-8(9)4-7(9)3/h6,8H,3-5H2,1-2H3
InChIKeyIJYXERGQBVQYSK-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane

2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane (PubChem CID 91566423) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane
PubChem CID91566423
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane
SMILESC=C1CC2CC12C(C)C
InChIInChI=1S/C9H14/c1-6(2)9-5-8(9)4-7(9)3/h6,8H,3-5H2,1-2H3
InChIKeyIJYXERGQBVQYSK-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane?
The IUPAC name of 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane (CID 91566423) is 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane?
The canonical SMILES for 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane is C=C1CC2CC12C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane?
The InChIKey is IJYXERGQBVQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6(2)9-5-8(9)4-7(9)3/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane?
2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-ylbicyclo[2.1.0]pentane is sourced from PubChem (CID 91566423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).