3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal

C10H17NO2 — CID 130727536

IUPAC3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal
SMILESO=CCCN1CCCC12CCOC2
InChIInChI=1S/C10H17NO2/c12-7-2-6-11-5-1-3-10(11)4-8-13-9-10/h7H,1-6,8-9H2
InChIKeyRVZFJIUQDMIILE-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.83
Rot. Bonds3

About 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal

3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal (PubChem CID 130727536) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal.

Molecular Properties

Compound Name3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal
PubChem CID130727536
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal
SMILESO=CCCN1CCCC12CCOC2
InChIInChI=1S/C10H17NO2/c12-7-2-6-11-5-1-3-10(11)4-8-13-9-10/h7H,1-6,8-9H2
InChIKeyRVZFJIUQDMIILE-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-ethyl-2-oxa-6-azaspiro[4.5]decane
CID 153356983
1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-2-ol
CID 130627672
(2R)-1-amino-3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-2-ol
CID 126997898
2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethanol
CID 168990013
4-(2-methoxyethyl)-8-oxa-4-azaspiro[2.6]nonane
CID 130660440
1-ethyl-8-oxa-1-azaspiro[5.5]undecane
CID 166896589
5-methyl-8-oxa-5-azaspiro[3.5]nonane
CID 130359992
(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 130674066
3-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)but-2-en-1-one
CID 130689992
1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
CID 130211344
5-propyl-5-azaspiro[3.4]octane
CID 131103663

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal?
The IUPAC name of 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal (CID 130727536) is 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal.
What is the SMILES notation for 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal?
The canonical SMILES for 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal is O=CCCN1CCCC12CCOC2.
What is the InChIKey of 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal?
The InChIKey is RVZFJIUQDMIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-7-2-6-11-5-1-3-10(11)4-8-13-9-10/h7H,1-6,8-9H2.
What are the key properties of 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal?
3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal has a molecular weight of 183.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal is sourced from PubChem (CID 130727536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).