tricyclo[3.1.1.01,3]heptane

C7H10 — CID 91477743

IUPACtricyclo[3.1.1.01,3]heptane
SMILESC1C2CC3(C2)CC13
InChIInChI=1S/C7H10/c1-5-2-7(3-5)4-6(1)7/h5-6H,1-4H2
InChIKeySDZGDZAAZKIUJB-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.81
Rot. Bonds

About tricyclo[3.1.1.01,3]heptane

tricyclo[3.1.1.01,3]heptane (PubChem CID 91477743) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is tricyclo[3.1.1.01,3]heptane.

Molecular Properties

Compound Nametricyclo[3.1.1.01,3]heptane
PubChem CID91477743
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Nametricyclo[3.1.1.01,3]heptane
SMILESC1C2CC3(C2)CC13
InChIInChI=1S/C7H10/c1-5-2-7(3-5)4-6(1)7/h5-6H,1-4H2
InChIKeySDZGDZAAZKIUJB-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.1.1.01,3]heptane?
The IUPAC name of tricyclo[3.1.1.01,3]heptane (CID 91477743) is tricyclo[3.1.1.01,3]heptane.
What is the SMILES notation for tricyclo[3.1.1.01,3]heptane?
The canonical SMILES for tricyclo[3.1.1.01,3]heptane is C1C2CC3(C2)CC13.
What is the InChIKey of tricyclo[3.1.1.01,3]heptane?
The InChIKey is SDZGDZAAZKIUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-5-2-7(3-5)4-6(1)7/h5-6H,1-4H2.
What are the key properties of tricyclo[3.1.1.01,3]heptane?
tricyclo[3.1.1.01,3]heptane has a molecular weight of 94.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.1.1.01,3]heptane is sourced from PubChem (CID 91477743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).