ethenylcyclopropane;formic acid

C6H10O2 — CID 158977485

IUPACethenylcyclopropane;formic acid
SMILESC=CC1CC1.O=CO
InChIInChI=1S/C5H8.CH2O2/c1-2-5-3-4-5;2-1-3/h2,5H,1,3-4H2;1H,(H,2,3)
InChIKeyJOOPTGDUXVBNGC-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.28
Rot. Bonds1

About ethenylcyclopropane;formic acid

ethenylcyclopropane;formic acid (PubChem CID 158977485) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is ethenylcyclopropane;formic acid.

Molecular Properties

Compound Nameethenylcyclopropane;formic acid
PubChem CID158977485
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Nameethenylcyclopropane;formic acid
SMILESC=CC1CC1.O=CO
InChIInChI=1S/C5H8.CH2O2/c1-2-5-3-4-5;2-1-3/h2,5H,1,3-4H2;1H,(H,2,3)
InChIKeyJOOPTGDUXVBNGC-UHFFFAOYSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenylcyclopropane;formic acid?
The IUPAC name of ethenylcyclopropane;formic acid (CID 158977485) is ethenylcyclopropane;formic acid.
What is the SMILES notation for ethenylcyclopropane;formic acid?
The canonical SMILES for ethenylcyclopropane;formic acid is C=CC1CC1.O=CO.
What is the InChIKey of ethenylcyclopropane;formic acid?
The InChIKey is JOOPTGDUXVBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.CH2O2/c1-2-5-3-4-5;2-1-3/h2,5H,1,3-4H2;1H,(H,2,3).
What are the key properties of ethenylcyclopropane;formic acid?
ethenylcyclopropane;formic acid has a molecular weight of 114.14 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylcyclopropane;formic acid is sourced from PubChem (CID 158977485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).