(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane

C7H13NO — CID 177187480

IUPAC(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
SMILESCN1CC[C@]2(CCO2)C1
InChIInChI=1S/C7H13NO/c1-8-4-2-7(6-8)3-5-9-7/h2-6H2,1H3/t7-/m0/s1
InChIKeyFEBZHXGJDZOZRI-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

About (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane

(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane (PubChem CID 177187480) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
PubChem CID177187480
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
SMILESCN1CC[C@]2(CCO2)C1
InChIInChI=1S/C7H13NO/c1-8-4-2-7(6-8)3-5-9-7/h2-6H2,1H3/t7-/m0/s1
InChIKeyFEBZHXGJDZOZRI-ZETCQYMHSA-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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Related Compounds

1-Oxa-6-azaspiro[3.4]octane
CID 54759147
2-Methyl-5-oxa-2-azaspiro[3.4]octane
CID 58683603
(S)-1-Oxa-6-azaspiro[3.4]octane
CID 86328921
(R)-1-Oxa-6-azaspiro[3.4]octane
CID 86328923
7-Methyl-1-oxa-7-azaspiro[3.4]octane
CID 89527373
(6R)-6,7-dimethyl-1-oxa-7-azaspiro[3.4]octane
CID 89595413
7-Propan-2-yl-1-oxa-7-azaspiro[3.4]octane
CID 90348103
1-Methyl-7-oxa-1-azaspiro[3.4]octane
CID 90349783
2-Ethyl-5-oxa-2-azaspiro[3.4]octane
CID 90372523
7-Ethyl-1-oxa-7-azaspiro[3.4]octane
CID 121247158
1-(1-Oxa-7-azaspiro[3.4]octan-7-yl)ethanone
CID 126556746
7-Heptan-3-yl-1-oxa-7-azaspiro[3.4]octane
CID 138625307

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane (CID 177187480) is (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane is CN1CC[C@]2(CCO2)C1.
What is the InChIKey of (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is FEBZHXGJDZOZRI-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-2-7(6-8)3-5-9-7/h2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane?
(4S)-7-methyl-1-oxa-7-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 (4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 177187480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).