10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C16H20N2O3 — CID 64956352

IUPAC10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCOc1ccccc1N1CCC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-21-13-7-3-2-6-12(13)18-11-8-14(19)17-16(15(18)20)9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyMPJBTRGBZNWBNY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds2

About 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64956352) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64956352
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCOc1ccccc1N1CCC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-21-13-7-3-2-6-12(13)18-11-8-14(19)17-16(15(18)20)9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyMPJBTRGBZNWBNY-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64956352) is 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is COc1ccccc1N1CCC(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is MPJBTRGBZNWBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-13-7-3-2-6-12(13)18-11-8-14(19)17-16(15(18)20)9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 288.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64956352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).