9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione

C14H16N2O2 — CID 115434500

IUPAC9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione
SMILESO=C1NCC2(CCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O2/c17-12-14(8-4-5-9-14)10-15-13(18)16(12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,18)
InChIKeyLABNKWPVBZIGNO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.30
Rot. Bonds1

About 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione

9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione (PubChem CID 115434500) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione.

Molecular Properties

Compound Name9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione
PubChem CID115434500
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione
SMILESO=C1NCC2(CCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O2/c17-12-14(8-4-5-9-14)10-15-13(18)16(12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,18)
InChIKeyLABNKWPVBZIGNO-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione?
The IUPAC name of 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione (CID 115434500) is 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione.
What is the SMILES notation for 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione?
The canonical SMILES for 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione is O=C1NCC2(CCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione?
The InChIKey is LABNKWPVBZIGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-14(8-4-5-9-14)10-15-13(18)16(12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,18).
What are the key properties of 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione?
9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione has a molecular weight of 244.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione is sourced from PubChem (CID 115434500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).