2-methylbicyclo[4.1.0]heptane

C8H14 — CID 549097

IUPAC2-methylbicyclo[4.1.0]heptane
SMILESCC1CCCC2CC12
InChIInChI=1S/C8H14/c1-6-3-2-4-7-5-8(6)7/h6-8H,2-5H2,1H3
InChIKeyLGSGIWBAKCYGBB-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds

About 2-methylbicyclo[4.1.0]heptane

2-methylbicyclo[4.1.0]heptane (PubChem CID 549097) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-methylbicyclo[4.1.0]heptane
PubChem CID549097
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name2-methylbicyclo[4.1.0]heptane
SMILESCC1CCCC2CC12
InChIInChI=1S/C8H14/c1-6-3-2-4-7-5-8(6)7/h6-8H,2-5H2,1H3
InChIKeyLGSGIWBAKCYGBB-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[4.1.0]heptane?
The IUPAC name of 2-methylbicyclo[4.1.0]heptane (CID 549097) is 2-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for 2-methylbicyclo[4.1.0]heptane?
The canonical SMILES for 2-methylbicyclo[4.1.0]heptane is CC1CCCC2CC12.
What is the InChIKey of 2-methylbicyclo[4.1.0]heptane?
The InChIKey is LGSGIWBAKCYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6-3-2-4-7-5-8(6)7/h6-8H,2-5H2,1H3.
What are the key properties of 2-methylbicyclo[4.1.0]heptane?
2-methylbicyclo[4.1.0]heptane has a molecular weight of 110.20 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 549097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).