6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde

C8H14N2O2 — CID 171517022

IUPAC6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde
SMILESO=CN1CCOC2(CCNC2)C1
InChIInChI=1S/C8H14N2O2/c11-7-10-3-4-12-8(6-10)1-2-9-5-8/h7,9H,1-6H2
InChIKeyQFGIPOXPRYEUJG-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.79
Rot. Bonds1

About 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde

6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde (PubChem CID 171517022) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde.

Molecular Properties

Compound Name6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde
PubChem CID171517022
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde
SMILESO=CN1CCOC2(CCNC2)C1
InChIInChI=1S/C8H14N2O2/c11-7-10-3-4-12-8(6-10)1-2-9-5-8/h7,9H,1-6H2
InChIKeyQFGIPOXPRYEUJG-UHFFFAOYSA-N
XLogP-0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 89465603
1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde
CID 141388788
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde
CID 123683284
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
6,9-dioxa-2-azaspiro[4.6]undecane
CID 118210694
2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
CID 155856169
(6S)-4-cyclohexyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372335
4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 66661332
(E)-1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)but-2-en-1-one
CID 165456799
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one
CID 171912685

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde?
The IUPAC name of 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde (CID 171517022) is 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde.
What is the SMILES notation for 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde?
The canonical SMILES for 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde is O=CN1CCOC2(CCNC2)C1.
What is the InChIKey of 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde?
The InChIKey is QFGIPOXPRYEUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-10-3-4-12-8(6-10)1-2-9-5-8/h7,9H,1-6H2.
What are the key properties of 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde?
6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2,9-diazaspiro[4.5]decane-9-carbaldehyde is sourced from PubChem (CID 171517022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).