6-methyl-2-oxa-6-azaspiro[3.3]heptane

C6H11NO — CID 59154926

IUPAC6-methyl-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CC2(COC2)C1
InChIInChI=1S/C6H11NO/c1-7-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKeyXAOIBIMSYMZQMW-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.05
Rot. Bonds

About 6-methyl-2-oxa-6-azaspiro[3.3]heptane

6-methyl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 59154926) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 6-methyl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID59154926
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name6-methyl-2-oxa-6-azaspiro[3.3]heptane
SMILESCN1CC2(COC2)C1
InChIInChI=1S/C6H11NO/c1-7-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKeyXAOIBIMSYMZQMW-UHFFFAOYSA-N
XLogP-0.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-methyl-2-oxa-6-azaspiro[3.3]heptane (CID 59154926) is 6-methyl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-methyl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-methyl-2-oxa-6-azaspiro[3.3]heptane is CN1CC2(COC2)C1.
What is the InChIKey of 6-methyl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is XAOIBIMSYMZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-2-6(3-7)4-8-5-6/h2-5H2,1H3.
What are the key properties of 6-methyl-2-oxa-6-azaspiro[3.3]heptane?
6-methyl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 113.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 59154926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).