3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde

C16H17NO3 — CID 106913703

IUPAC3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde
SMILESO=Cc1cccc(N2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C16H17NO3/c18-11-12-5-4-6-13(9-12)17-14(19)10-16(15(17)20)7-2-1-3-8-16/h4-6,9,11H,1-3,7-8,10H2
InChIKeyVULDBDLMTUZOKE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.71
Rot. Bonds2

About 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde

3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde (PubChem CID 106913703) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde
PubChem CID106913703
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde
SMILESO=Cc1cccc(N2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C16H17NO3/c18-11-12-5-4-6-13(9-12)17-14(19)10-16(15(17)20)7-2-1-3-8-16/h4-6,9,11H,1-3,7-8,10H2
InChIKeyVULDBDLMTUZOKE-UHFFFAOYSA-N
XLogP2.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974
2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43381801
2-(3-ethynylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 60977285
2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 11673993
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzonitrile
CID 43385996
2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 43653750
2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107612856
2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 64793674
4-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzene-1,2-dicarbonitrile
CID 107796089
2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741544
2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437122
2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid
CID 60860870

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde?
The IUPAC name of 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde (CID 106913703) is 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde.
What is the SMILES notation for 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde?
The canonical SMILES for 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde is O=Cc1cccc(N2C(=O)CC3(CCCCC3)C2=O)c1.
What is the InChIKey of 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde?
The InChIKey is VULDBDLMTUZOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-11-12-5-4-6-13(9-12)17-14(19)10-16(15(17)20)7-2-1-3-8-16/h4-6,9,11H,1-3,7-8,10H2.
What are the key properties of 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde?
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde has a molecular weight of 271.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde is sourced from PubChem (CID 106913703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).