8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde

C15H18N2O — CID 143204892

IUPAC8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde
SMILESO=CN1CCCC12CC=C(c1cccnc1)CC2
InChIInChI=1S/C15H18N2O/c18-12-17-10-2-6-15(17)7-4-13(5-8-15)14-3-1-9-16-11-14/h1,3-4,9,11-12H,2,5-8,10H2
InChIKeyKOOBAEWDSXZETC-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.64
Rot. Bonds2

About 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde

8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde (PubChem CID 143204892) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde.

Molecular Properties

Compound Name8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde
PubChem CID143204892
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde
SMILESO=CN1CCCC12CC=C(c1cccnc1)CC2
InChIInChI=1S/C15H18N2O/c18-12-17-10-2-6-15(17)7-4-13(5-8-15)14-3-1-9-16-11-14/h1,3-4,9,11-12H,2,5-8,10H2
InChIKeyKOOBAEWDSXZETC-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.64
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

ethyl 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carboxylate;2,2,2-trifluoroacetic acid
CID 172806705
3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 22758233
3-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)pyridine
CID 10942960
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone
CID 151180874
[1-(3-chlorocyclohexa-1,5-dien-1-yl)-4-pyridin-3-ylcyclohex-3-en-1-yl]methanamine
CID 143706000
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde
CID 87430374
1-pyridin-3-yl-1,7-diazaspiro[4.4]nonane-7-carboxylic acid
CID 67074597
3-pyridin-3-ylfuran-2-carbaldehyde
CID 106886416
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089
2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide
CID 173109803
N-piperidin-1-yl-2-pyridin-3-ylbenzamide
CID 173109627

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde?
The IUPAC name of 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde (CID 143204892) is 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde.
What is the SMILES notation for 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde?
The canonical SMILES for 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde is O=CN1CCCC12CC=C(c1cccnc1)CC2.
What is the InChIKey of 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde?
The InChIKey is KOOBAEWDSXZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-12-17-10-2-6-15(17)7-4-13(5-8-15)14-3-1-9-16-11-14/h1,3-4,9,11-12H,2,5-8,10H2.
What are the key properties of 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde?
8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-1-azaspiro[4.5]dec-7-ene-1-carbaldehyde is sourced from PubChem (CID 143204892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).