ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane

C9H19NO — CID 163257715

IUPACethane;2-methyl-5-oxa-2-azaspiro[3.4]octane
SMILESCC.CN1CC2(CCCO2)C1
InChIInChI=1S/C7H13NO.C2H6/c1-8-5-7(6-8)3-2-4-9-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyYAPGWLWVKHFHQC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds

About ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane

ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 163257715) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;2-methyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID163257715
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;2-methyl-5-oxa-2-azaspiro[3.4]octane
SMILESCC.CN1CC2(CCCO2)C1
InChIInChI=1S/C7H13NO.C2H6/c1-8-5-7(6-8)3-2-4-9-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyYAPGWLWVKHFHQC-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane (CID 163257715) is ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane is CC.CN1CC2(CCCO2)C1.
What is the InChIKey of ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is YAPGWLWVKHFHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-8-5-7(6-8)3-2-4-9-7;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane?
ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 157.26 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 163257715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).