2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane

C15H24 — CID 134691351

IUPAC2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1C12CCC(CC1)C2
InChIInChI=1S/C15H24/c1-10-12-2-3-13(8-12)14(10)15-6-4-11(9-15)5-7-15/h10-14H,2-9H2,1H3
InChIKeyKFINUBSZUOHJJE-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.25
Rot. Bonds1

About 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane

2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane (PubChem CID 134691351) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
PubChem CID134691351
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1C12CCC(CC1)C2
InChIInChI=1S/C15H24/c1-10-12-2-3-13(8-12)14(10)15-6-4-11(9-15)5-7-15/h10-14H,2-9H2,1H3
InChIKeyKFINUBSZUOHJJE-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane (CID 134691351) is 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane is CC1C2CCC(C2)C1C12CCC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane?
The InChIKey is KFINUBSZUOHJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10-12-2-3-13(8-12)14(10)15-6-4-11(9-15)5-7-15/h10-14H,2-9H2,1H3.
What are the key properties of 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane?
2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane has a molecular weight of 204.36 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 134691351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).