2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde

C14H14N2O3 — CID 89143790

IUPAC2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde
SMILESO=Cc1ccccc1[C@H]1CCCC12NC(=O)NC2=O
InChIInChI=1S/C14H14N2O3/c17-8-9-4-1-2-5-10(9)11-6-3-7-14(11)12(18)15-13(19)16-14/h1-2,4-5,8,11H,3,6-7H2,(H2,15,16,18,19)/t11-,14?/m1/s1
InChIKeyHEZJIFGQDRSHHY-YNODCEANSA-N
MW258.28 g/mol
LogP1.34
Rot. Bonds2

About 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde

2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde (PubChem CID 89143790) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde.

Molecular Properties

Compound Name2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde
PubChem CID89143790
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde
SMILESO=Cc1ccccc1[C@H]1CCCC12NC(=O)NC2=O
InChIInChI=1S/C14H14N2O3/c17-8-9-4-1-2-5-10(9)11-6-3-7-14(11)12(18)15-13(19)16-14/h1-2,4-5,8,11H,3,6-7H2,(H2,15,16,18,19)/t11-,14?/m1/s1
InChIKeyHEZJIFGQDRSHHY-YNODCEANSA-N
XLogP1.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde?
The IUPAC name of 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde (CID 89143790) is 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde.
What is the SMILES notation for 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde?
The canonical SMILES for 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde is O=Cc1ccccc1[C@H]1CCCC12NC(=O)NC2=O.
What is the InChIKey of 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde?
The InChIKey is HEZJIFGQDRSHHY-YNODCEANSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-8-9-4-1-2-5-10(9)11-6-3-7-14(11)12(18)15-13(19)16-14/h1-2,4-5,8,11H,3,6-7H2,(H2,15,16,18,19)/t11-,14?/m1/s1.
What are the key properties of 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde?
2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde has a molecular weight of 258.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde is sourced from PubChem (CID 89143790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).