3-cyclopropylbicyclo[4.1.0]heptane

C10H16 — CID 548827

IUPAC3-cyclopropylbicyclo[4.1.0]heptane
SMILESC1CC1C1CCC2CC2C1
InChIInChI=1S/C10H16/c1-2-7(1)8-3-4-9-6-10(9)5-8/h7-10H,1-6H2
InChIKeySDTZGGLOOGQXTC-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.83
Rot. Bonds1

About 3-cyclopropylbicyclo[4.1.0]heptane

3-cyclopropylbicyclo[4.1.0]heptane (PubChem CID 548827) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-cyclopropylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-cyclopropylbicyclo[4.1.0]heptane
PubChem CID548827
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-cyclopropylbicyclo[4.1.0]heptane
SMILESC1CC1C1CCC2CC2C1
InChIInChI=1S/C10H16/c1-2-7(1)8-3-4-9-6-10(9)5-8/h7-10H,1-6H2
InChIKeySDTZGGLOOGQXTC-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylbicyclo[4.1.0]heptane?
The IUPAC name of 3-cyclopropylbicyclo[4.1.0]heptane (CID 548827) is 3-cyclopropylbicyclo[4.1.0]heptane.
What is the SMILES notation for 3-cyclopropylbicyclo[4.1.0]heptane?
The canonical SMILES for 3-cyclopropylbicyclo[4.1.0]heptane is C1CC1C1CCC2CC2C1.
What is the InChIKey of 3-cyclopropylbicyclo[4.1.0]heptane?
The InChIKey is SDTZGGLOOGQXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-7(1)8-3-4-9-6-10(9)5-8/h7-10H,1-6H2.
What are the key properties of 3-cyclopropylbicyclo[4.1.0]heptane?
3-cyclopropylbicyclo[4.1.0]heptane has a molecular weight of 136.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylbicyclo[4.1.0]heptane is sourced from PubChem (CID 548827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).