1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde

C6H9NO2 — CID 141388788

IUPAC1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde
SMILESO=CN1CC2(CCO2)C1
InChIInChI=1S/C6H9NO2/c8-5-7-3-6(4-7)1-2-9-6/h5H,1-4H2
InChIKeyAMXSZLVQIGCPMJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.38
Rot. Bonds1

About 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde

1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde (PubChem CID 141388788) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde.

Molecular Properties

Compound Name1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde
PubChem CID141388788
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde
SMILESO=CN1CC2(CCO2)C1
InChIInChI=1S/C6H9NO2/c8-5-7-3-6(4-7)1-2-9-6/h5H,1-4H2
InChIKeyAMXSZLVQIGCPMJ-UHFFFAOYSA-N
XLogP-0.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde
CID 171517022
1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 89465603
3,3-difluoroazetidine-1-carbaldehyde
CID 87323503
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
2-hydroxy-1-(1-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one
CID 131176950
1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde
CID 123683284
7-hydroxy-1-oxa-7-azaspiro[3.5]nonane
CID 167142466
4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline
CID 90346112
3-fluoro-3-methylpyrrolidine-1-carbaldehyde
CID 143837055
3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
CID 103357524

Frequently Asked Questions

What is the IUPAC name of 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde?
The IUPAC name of 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde (CID 141388788) is 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde.
What is the SMILES notation for 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde?
The canonical SMILES for 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde is O=CN1CC2(CCO2)C1.
What is the InChIKey of 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde?
The InChIKey is AMXSZLVQIGCPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5-7-3-6(4-7)1-2-9-6/h5H,1-4H2.
What are the key properties of 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde?
1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde has a molecular weight of 127.14 g/mol, XLogP of -0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde is sourced from PubChem (CID 141388788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).