7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane

C6H9NO2 — CID 87415610

IUPAC7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane
SMILESC=CN1CCCC12OO2
InChIInChI=1S/C6H9NO2/c1-2-7-5-3-4-6(7)8-9-6/h2H,1,3-5H2
InChIKeyHDYBKTATGBZFCH-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.84
Rot. Bonds1

About 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane

7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane (PubChem CID 87415610) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane.

Molecular Properties

Compound Name7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane
PubChem CID87415610
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane
SMILESC=CN1CCCC12OO2
InChIInChI=1S/C6H9NO2/c1-2-7-5-3-4-6(7)8-9-6/h2H,1,3-5H2
InChIKeyHDYBKTATGBZFCH-UHFFFAOYSA-N
XLogP0.84
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane?
The IUPAC name of 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane (CID 87415610) is 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane.
What is the SMILES notation for 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane?
The canonical SMILES for 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane is C=CN1CCCC12OO2.
What is the InChIKey of 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane?
The InChIKey is HDYBKTATGBZFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-7-5-3-4-6(7)8-9-6/h2H,1,3-5H2.
What are the key properties of 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane?
7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane has a molecular weight of 127.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1,2-dioxa-7-azaspiro[2.4]heptane is sourced from PubChem (CID 87415610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).