3-methylidenebicyclo[4.1.0]heptane

C8H12 — CID 153147238

IUPAC3-methylidenebicyclo[4.1.0]heptane
SMILESC=C1CCC2CC2C1
InChIInChI=1S/C8H12/c1-6-2-3-7-5-8(7)4-6/h7-8H,1-5H2
InChIKeyHDPUNYCZMFREKE-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 3-methylidenebicyclo[4.1.0]heptane

3-methylidenebicyclo[4.1.0]heptane (PubChem CID 153147238) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 3-methylidenebicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-methylidenebicyclo[4.1.0]heptane
PubChem CID153147238
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name3-methylidenebicyclo[4.1.0]heptane
SMILESC=C1CCC2CC2C1
InChIInChI=1S/C8H12/c1-6-2-3-7-5-8(7)4-6/h7-8H,1-5H2
InChIKeyHDPUNYCZMFREKE-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
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 3-methylidenebicyclo[4.1.0]heptane?
The IUPAC name of 3-methylidenebicyclo[4.1.0]heptane (CID 153147238) is 3-methylidenebicyclo[4.1.0]heptane.
What is the SMILES notation for 3-methylidenebicyclo[4.1.0]heptane?
The canonical SMILES for 3-methylidenebicyclo[4.1.0]heptane is C=C1CCC2CC2C1.
What is the InChIKey of 3-methylidenebicyclo[4.1.0]heptane?
The InChIKey is HDPUNYCZMFREKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-2-3-7-5-8(7)4-6/h7-8H,1-5H2.
What are the key properties of 3-methylidenebicyclo[4.1.0]heptane?
3-methylidenebicyclo[4.1.0]heptane has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenebicyclo[4.1.0]heptane is sourced from PubChem (CID 153147238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).