1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde

C9H16N2O2 — CID 123683284

IUPAC1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde
SMILESO=CN1CCC2(CCCNC2)OC1
InChIInChI=1S/C9H16N2O2/c12-7-11-5-3-9(13-8-11)2-1-4-10-6-9/h7,10H,1-6,8H2
InChIKeyKQDIJOWXAQBPPJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.06
Rot. Bonds1

About 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde

1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde (PubChem CID 123683284) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde.

Molecular Properties

Compound Name1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde
PubChem CID123683284
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde
SMILESO=CN1CCC2(CCCNC2)OC1
InChIInChI=1S/C9H16N2O2/c12-7-11-5-3-9(13-8-11)2-1-4-10-6-9/h7,10H,1-6,8H2
InChIKeyKQDIJOWXAQBPPJ-UHFFFAOYSA-N
XLogP-0.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 89465603
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde
CID 171517022
1-oxa-9-azaspiro[3.6]decane
CID 118209885
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
1,7-diazacyclododecane-1-carbaldehyde
CID 123495230
1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 90755002
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
3-(2-aminoethyl)-1-oxa-3,8-diazaspiro[5.5]undecan-2-one
CID 105466874
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
CID 86334414
1,3-diazepane-1-carbaldehyde
CID 91255378
2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
CID 155856169

Frequently Asked Questions

What is the IUPAC name of 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde?
The IUPAC name of 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde (CID 123683284) is 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde.
What is the SMILES notation for 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde?
The canonical SMILES for 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde is O=CN1CCC2(CCCNC2)OC1.
What is the InChIKey of 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde?
The InChIKey is KQDIJOWXAQBPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-7-11-5-3-9(13-8-11)2-1-4-10-6-9/h7,10H,1-6,8H2.
What are the key properties of 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde?
1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde has a molecular weight of 184.24 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde is sourced from PubChem (CID 123683284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).