7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene

C6H9NO2 — CID 146290017

IUPAC7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene
SMILESCC1=NOC2(COC2)C1
InChIInChI=1S/C6H9NO2/c1-5-2-6(9-7-5)3-8-4-6/h2-4H2,1H3
InChIKeyXNABVFPXNYARAC-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.55
Rot. Bonds

About 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene

7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene (PubChem CID 146290017) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene.

Molecular Properties

Compound Name7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene
PubChem CID146290017
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene
SMILESCC1=NOC2(COC2)C1
InChIInChI=1S/C6H9NO2/c1-5-2-6(9-7-5)3-8-4-6/h2-4H2,1H3
InChIKeyXNABVFPXNYARAC-UHFFFAOYSA-N
XLogP0.55
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene?
The IUPAC name of 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene (CID 146290017) is 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene.
What is the SMILES notation for 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene?
The canonical SMILES for 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene is CC1=NOC2(COC2)C1.
What is the InChIKey of 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene?
The InChIKey is XNABVFPXNYARAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-5-2-6(9-7-5)3-8-4-6/h2-4H2,1H3.
What are the key properties of 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene?
7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene has a molecular weight of 127.14 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene is sourced from PubChem (CID 146290017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).