ethenyl formate;1H-pyrazole

C6H8N2O2 — CID 174632917

IUPACethenyl formate;1H-pyrazole
SMILESC=COC=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H4O2/c1-2-4-5-3-1;1-2-5-3-4/h1-3H,(H,4,5);2-3H,1H2
InChIKeyXBKYNXSGBSCBJR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.71
Rot. Bonds2

About ethenyl formate;1H-pyrazole

ethenyl formate;1H-pyrazole (PubChem CID 174632917) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is ethenyl formate;1H-pyrazole.

Molecular Properties

Compound Nameethenyl formate;1H-pyrazole
PubChem CID174632917
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Nameethenyl formate;1H-pyrazole
SMILESC=COC=O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C3H4O2/c1-2-4-5-3-1;1-2-5-3-4/h1-3H,(H,4,5);2-3H,1H2
InChIKeyXBKYNXSGBSCBJR-UHFFFAOYSA-N
XLogP0.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl formate;1H-pyrazole?
The IUPAC name of ethenyl formate;1H-pyrazole (CID 174632917) is ethenyl formate;1H-pyrazole.
What is the SMILES notation for ethenyl formate;1H-pyrazole?
The canonical SMILES for ethenyl formate;1H-pyrazole is C=COC=O.c1cn[nH]c1.
What is the InChIKey of ethenyl formate;1H-pyrazole?
The InChIKey is XBKYNXSGBSCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H4O2/c1-2-4-5-3-1;1-2-5-3-4/h1-3H,(H,4,5);2-3H,1H2.
What are the key properties of ethenyl formate;1H-pyrazole?
ethenyl formate;1H-pyrazole has a molecular weight of 140.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl formate;1H-pyrazole is sourced from PubChem (CID 174632917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).