5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione

C17H12Cl2N2O2 — CID 171843838

IUPAC5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
SMILESO=C1N(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)C12CC2
InChIInChI=1S/C17H12Cl2N2O2/c18-11-3-1-5-13(9-11)20-15(22)17(7-8-17)16(23)21(20)14-6-2-4-12(19)10-14/h1-6,9-10H,7-8H2
InChIKeySWCYHMPDIKOXDR-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.07
Rot. Bonds2

About 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione

5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione (PubChem CID 171843838) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione.

Molecular Properties

Compound Name5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
PubChem CID171843838
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
SMILESO=C1N(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)C12CC2
InChIInChI=1S/C17H12Cl2N2O2/c18-11-3-1-5-13(9-11)20-15(22)17(7-8-17)16(23)21(20)14-6-2-4-12(19)10-14/h1-6,9-10H,7-8H2
InChIKeySWCYHMPDIKOXDR-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115945669
8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598235
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 58238342
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
1-(3-chlorophenyl)azonane
CID 145391535
8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 122672568
7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 15176093
3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 97455638
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739931

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione?
The IUPAC name of 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione (CID 171843838) is 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione.
What is the SMILES notation for 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione?
The canonical SMILES for 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione is O=C1N(c2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)C12CC2.
What is the InChIKey of 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione?
The InChIKey is SWCYHMPDIKOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-11-3-1-5-13(9-11)20-15(22)17(7-8-17)16(23)21(20)14-6-2-4-12(19)10-14/h1-6,9-10H,7-8H2.
What are the key properties of 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione?
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione has a molecular weight of 347.20 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione is sourced from PubChem (CID 171843838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).