4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde

C16H18N2O3 — CID 155579240

IUPAC4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCC3(CC2)CC(=O)NC(=O)C3)cc1
InChIInChI=1S/C16H18N2O3/c19-11-12-1-3-13(4-2-12)18-7-5-16(6-8-18)9-14(20)17-15(21)10-16/h1-4,11H,5-10H2,(H,17,20,21)
InChIKeyQLBQTVPVXTXTNA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.52
Rot. Bonds2

About 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde

4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde (PubChem CID 155579240) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde
PubChem CID155579240
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCC3(CC2)CC(=O)NC(=O)C3)cc1
InChIInChI=1S/C16H18N2O3/c19-11-12-1-3-13(4-2-12)18-7-5-16(6-8-18)9-14(20)17-15(21)10-16/h1-4,11H,5-10H2,(H,17,20,21)
InChIKeyQLBQTVPVXTXTNA-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde?
The IUPAC name of 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde (CID 155579240) is 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde.
What is the SMILES notation for 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde?
The canonical SMILES for 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde is O=Cc1ccc(N2CCC3(CC2)CC(=O)NC(=O)C3)cc1.
What is the InChIKey of 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde?
The InChIKey is QLBQTVPVXTXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-11-12-1-3-13(4-2-12)18-7-5-16(6-8-18)9-14(20)17-15(21)10-16/h1-4,11H,5-10H2,(H,17,20,21).
What are the key properties of 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde?
4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde has a molecular weight of 286.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde is sourced from PubChem (CID 155579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).