(5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione

C12H10ClN3O2 — CID 7412017

IUPAC(5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
SMILESO=C1C[C@]2(CCN=N2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O2/c13-8-1-3-9(4-2-8)16-10(17)7-12(11(16)18)5-6-14-15-12/h1-4H,5-7H2/t12-/m1/s1
InChIKeyZQKSSDSZUGULIW-GFCCVEGCSA-N
MW263.68 g/mol
LogP2.20
Rot. Bonds1

About (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione

(5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (PubChem CID 7412017) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione.

Molecular Properties

Compound Name(5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
PubChem CID7412017
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name(5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
SMILESO=C1C[C@]2(CCN=N2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O2/c13-8-1-3-9(4-2-8)16-10(17)7-12(11(16)18)5-6-14-15-12/h1-4H,5-7H2/t12-/m1/s1
InChIKeyZQKSSDSZUGULIW-GFCCVEGCSA-N
XLogP2.20
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The IUPAC name of (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (CID 7412017) is (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione.
What is the SMILES notation for (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The canonical SMILES for (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is O=C1C[C@]2(CCN=N2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The InChIKey is ZQKSSDSZUGULIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-8-1-3-9(4-2-8)16-10(17)7-12(11(16)18)5-6-14-15-12/h1-4H,5-7H2/t12-/m1/s1.
What are the key properties of (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
(5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione has a molecular weight of 263.68 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is sourced from PubChem (CID 7412017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).