4-azaspiro[2.4]heptane-4-carbaldehyde

C7H11NO — CID 166139649

IUPAC4-azaspiro[2.4]heptane-4-carbaldehyde
SMILESO=CN1CCCC12CC2
InChIInChI=1S/C7H11NO/c9-6-8-5-1-2-7(8)3-4-7/h6H,1-5H2
InChIKeyYHNXJSNXAKDKBS-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.77
Rot. Bonds1

About 4-azaspiro[2.4]heptane-4-carbaldehyde

4-azaspiro[2.4]heptane-4-carbaldehyde (PubChem CID 166139649) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-azaspiro[2.4]heptane-4-carbaldehyde.

Molecular Properties

Compound Name4-azaspiro[2.4]heptane-4-carbaldehyde
PubChem CID166139649
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-azaspiro[2.4]heptane-4-carbaldehyde
SMILESO=CN1CCCC12CC2
InChIInChI=1S/C7H11NO/c9-6-8-5-1-2-7(8)3-4-7/h6H,1-5H2
InChIKeyYHNXJSNXAKDKBS-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,8-diazaspiro[4.5]decane-1-carbaldehyde
CID 83618513
1,9-diazaspiro[5.5]undecane-1-carbaldehyde
CID 83618527
4,7-diazaspiro[2.5]octane-4-carbaldehyde
CID 142744733
4-azaspiro[2.4]heptane-4-carbaldehyde;ethane;(3Z)-hexa-1,3,5-triene;1-pyrrolidin-1-ylhexane-1,5-dione
CID 178108739
(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid
CID 141351286
benzene;ethane;4-ethenyl-4-azaspiro[2.4]heptane;propane
CID 178108805
4-azaspiro[2.4]heptane-4-carbaldehyde;benzene;5-[methyl-[(3-methyloxetan-3-yl)methyl]amino]hexanal;1-methylpyrrolidine
CID 178108332
6-methylsulfonyl-1,6-diazaspiro[3.3]heptane-1-carbaldehyde
CID 152706612
(10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one;4-azaspiro[2.4]heptane-4-carbaldehyde;(3Z)-hexa-1,3,5-triene;methane
CID 178108431
2-amino-1-(4-azaspiro[2.4]heptan-4-yl)ethanone
CID 154535282
4-azaspiro[2.4]heptane-4-carbaldehyde;benzene;ethane;methanamine;methane;5-[methyl-[3-(trifluoromethyl)cyclobutyl]amino]-1-pyrrolidin-1-ylhexan-1-one
CID 178108583
1,2-thiazolidine-2-carbaldehyde
CID 23367691

Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.4]heptane-4-carbaldehyde?
The IUPAC name of 4-azaspiro[2.4]heptane-4-carbaldehyde (CID 166139649) is 4-azaspiro[2.4]heptane-4-carbaldehyde.
What is the SMILES notation for 4-azaspiro[2.4]heptane-4-carbaldehyde?
The canonical SMILES for 4-azaspiro[2.4]heptane-4-carbaldehyde is O=CN1CCCC12CC2.
What is the InChIKey of 4-azaspiro[2.4]heptane-4-carbaldehyde?
The InChIKey is YHNXJSNXAKDKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-6-8-5-1-2-7(8)3-4-7/h6H,1-5H2.
What are the key properties of 4-azaspiro[2.4]heptane-4-carbaldehyde?
4-azaspiro[2.4]heptane-4-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.4]heptane-4-carbaldehyde is sourced from PubChem (CID 166139649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).