cyclopropane

C144H288 — CID 157440584

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
InChIInChI=1S/48C3H6/c48*1-2-3-1/h48*1-3H2
InChIKeyBRPXRBQCSMRCDJ-UHFFFAOYSA-N
MW2019.89 g/mol
LogP56.17
Rot. Bonds

About cyclopropane

cyclopropane (PubChem CID 157440584) has the molecular formula C144H288 and a molecular weight of 2019.89 g/mol. Its IUPAC name is cyclopropane.

Molecular Properties

Compound Namecyclopropane
PubChem CID157440584
Molecular FormulaC144H288
Molecular Weight2019.89 g/mol
Exact Mass2018.25
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
InChIInChI=1S/48C3H6/c48*1-2-3-1/h48*1-3H2
InChIKeyBRPXRBQCSMRCDJ-UHFFFAOYSA-N
XLogP56.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002019.89
LogP ≤ 556.17
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 157440584) 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.
What is the InChIKey of cyclopropane?
The InChIKey is BRPXRBQCSMRCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/48C3H6/c48*1-2-3-1/h48*1-3H2.
What are the key properties of cyclopropane?
cyclopropane has a molecular weight of 2019.89 g/mol, XLogP of 56.17, 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 157440584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).