8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione

C14H15ClN2O2 — CID 81167435

IUPAC8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-10-3-1-4-11(7-10)17-12(18)8-14(5-2-6-14)9-16-13(17)19/h1,3-4,7H,2,5-6,8-9H2,(H,16,19)
InChIKeyGAMZQKKDROXUEA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.96
Rot. Bonds1

About 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione

8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione (PubChem CID 81167435) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione.

Molecular Properties

Compound Name8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
PubChem CID81167435
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c15-10-3-1-4-11(7-10)17-12(18)8-14(5-2-6-14)9-16-13(17)19/h1,3-4,7H,2,5-6,8-9H2,(H,16,19)
InChIKeyGAMZQKKDROXUEA-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The IUPAC name of 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione (CID 81167435) is 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione.
What is the SMILES notation for 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The canonical SMILES for 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione is O=C1CC2(CCC2)CNC(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The InChIKey is GAMZQKKDROXUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-10-3-1-4-11(7-10)17-12(18)8-14(5-2-6-14)9-16-13(17)19/h1,3-4,7H,2,5-6,8-9H2,(H,16,19).
What are the key properties of 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione has a molecular weight of 278.74 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione is sourced from PubChem (CID 81167435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).