9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione

C15H18N2O3 — CID 115434508

IUPAC9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
SMILESCOc1ccccc1N1C(=O)NCC2(CCCC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-20-12-7-3-2-6-11(12)17-13(18)15(8-4-5-9-15)10-16-14(17)19/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)
InChIKeyPTPHLGUPZYTBEP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds2

About 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione

9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione (PubChem CID 115434508) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione.

Molecular Properties

Compound Name9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
PubChem CID115434508
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
SMILESCOc1ccccc1N1C(=O)NCC2(CCCC2)C1=O
InChIInChI=1S/C15H18N2O3/c1-20-12-7-3-2-6-11(12)17-13(18)15(8-4-5-9-15)10-16-14(17)19/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)
InChIKeyPTPHLGUPZYTBEP-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione?
The IUPAC name of 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione (CID 115434508) is 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione.
What is the SMILES notation for 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione?
The canonical SMILES for 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione is COc1ccccc1N1C(=O)NCC2(CCCC2)C1=O.
What is the InChIKey of 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione?
The InChIKey is PTPHLGUPZYTBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-12-7-3-2-6-11(12)17-13(18)15(8-4-5-9-15)10-16-14(17)19/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19).
What are the key properties of 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione?
9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione has a molecular weight of 274.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione is sourced from PubChem (CID 115434508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).