tricyclo[2.2.1.01,4]heptane

C7H10 — CID 12924019

IUPACtricyclo[2.2.1.01,4]heptane
SMILESC1CC23CCC12C3
InChIInChI=1S/C7H10/c1-2-7-4-3-6(1,7)5-7/h1-5H2
InChIKeyZJEMXVOUTQCURG-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.95
Rot. Bonds

About tricyclo[2.2.1.01,4]heptane

tricyclo[2.2.1.01,4]heptane (PubChem CID 12924019) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is tricyclo[2.2.1.01,4]heptane.

Molecular Properties

Compound Nametricyclo[2.2.1.01,4]heptane
PubChem CID12924019
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Nametricyclo[2.2.1.01,4]heptane
SMILESC1CC23CCC12C3
InChIInChI=1S/C7H10/c1-2-7-4-3-6(1,7)5-7/h1-5H2
InChIKeyZJEMXVOUTQCURG-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[2.2.1.01,4]heptane?
The IUPAC name of tricyclo[2.2.1.01,4]heptane (CID 12924019) is tricyclo[2.2.1.01,4]heptane.
What is the SMILES notation for tricyclo[2.2.1.01,4]heptane?
The canonical SMILES for tricyclo[2.2.1.01,4]heptane is C1CC23CCC12C3.
What is the InChIKey of tricyclo[2.2.1.01,4]heptane?
The InChIKey is ZJEMXVOUTQCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-7-4-3-6(1,7)5-7/h1-5H2.
What are the key properties of tricyclo[2.2.1.01,4]heptane?
tricyclo[2.2.1.01,4]heptane has a molecular weight of 94.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[2.2.1.01,4]heptane is sourced from PubChem (CID 12924019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).