cyclopropane

C180H360 — CID 157424897

IUPACcyclopropane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/60C3H6/c60*1-2-3-1/h60*1-3H2
InChIKeyBPVPDBKYARSSFP-UHFFFAOYSA-N
MW2524.86 g/mol
LogP70.22
Rot. Bonds

About cyclopropane

cyclopropane (PubChem CID 157424897) has the molecular formula C180H360 and a molecular weight of 2524.86 g/mol. Its IUPAC name is cyclopropane.

Molecular Properties

Compound Namecyclopropane
PubChem CID157424897
Molecular FormulaC180H360
Molecular Weight2524.86 g/mol
Exact Mass2522.82
IUPAC Namecyclopropane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/60C3H6/c60*1-2-3-1/h60*1-3H2
InChIKeyBPVPDBKYARSSFP-UHFFFAOYSA-N
XLogP70.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002524.86
LogP ≤ 570.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropane?
The IUPAC name of cyclopropane (CID 157424897) is cyclopropane.
What is the SMILES notation for cyclopropane?
The canonical SMILES for cyclopropane is C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.
What is the InChIKey of cyclopropane?
The InChIKey is BPVPDBKYARSSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/60C3H6/c60*1-2-3-1/h60*1-3H2.
What are the key properties of cyclopropane?
cyclopropane has a molecular weight of 2524.86 g/mol, XLogP of 70.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane is sourced from PubChem (CID 157424897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).