1-methyl-7-oxa-1-azaspiro[3.4]octane

C7H13NO — CID 90349783

IUPAC1-methyl-7-oxa-1-azaspiro[3.4]octane
SMILESCN1CCC12CCOC2
InChIInChI=1S/C7H13NO/c1-8-4-2-7(8)3-5-9-6-7/h2-6H2,1H3
InChIKeyRYHTYCVPVWFJBP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

About 1-methyl-7-oxa-1-azaspiro[3.4]octane

1-methyl-7-oxa-1-azaspiro[3.4]octane (PubChem CID 90349783) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-methyl-7-oxa-1-azaspiro[3.4]octane.

Molecular Properties

Compound Name1-methyl-7-oxa-1-azaspiro[3.4]octane
PubChem CID90349783
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-methyl-7-oxa-1-azaspiro[3.4]octane
SMILESCN1CCC12CCOC2
InChIInChI=1S/C7H13NO/c1-8-4-2-7(8)3-5-9-6-7/h2-6H2,1H3
InChIKeyRYHTYCVPVWFJBP-UHFFFAOYSA-N
XLogP0.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-oxa-1-azaspiro[3.4]octane?
The IUPAC name of 1-methyl-7-oxa-1-azaspiro[3.4]octane (CID 90349783) is 1-methyl-7-oxa-1-azaspiro[3.4]octane.
What is the SMILES notation for 1-methyl-7-oxa-1-azaspiro[3.4]octane?
The canonical SMILES for 1-methyl-7-oxa-1-azaspiro[3.4]octane is CN1CCC12CCOC2.
What is the InChIKey of 1-methyl-7-oxa-1-azaspiro[3.4]octane?
The InChIKey is RYHTYCVPVWFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-2-7(8)3-5-9-6-7/h2-6H2,1H3.
What are the key properties of 1-methyl-7-oxa-1-azaspiro[3.4]octane?
1-methyl-7-oxa-1-azaspiro[3.4]octane has a molecular weight of 127.19 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-oxa-1-azaspiro[3.4]octane is sourced from PubChem (CID 90349783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).