cyclopropane

C30H60 — CID 157242600

IUPACcyclopropane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/10C3H6/c10*1-2-3-1/h10*1-3H2
InChIKeyAVJPMBLZQGXKQX-UHFFFAOYSA-N
MW420.81 g/mol
LogP11.70
Rot. Bonds

About cyclopropane

cyclopropane (PubChem CID 157242600) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is cyclopropane.

Molecular Properties

Compound Namecyclopropane
PubChem CID157242600
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Namecyclopropane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/10C3H6/c10*1-2-3-1/h10*1-3H2
InChIKeyAVJPMBLZQGXKQX-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 511.70
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 157242600) 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.
What is the InChIKey of cyclopropane?
The InChIKey is AVJPMBLZQGXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/10C3H6/c10*1-2-3-1/h10*1-3H2.
What are the key properties of cyclopropane?
cyclopropane has a molecular weight of 420.81 g/mol, XLogP of 11.70, 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 157242600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).