(5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione

C18H22ClNO2 — CID 6922883

IUPAC(5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione
SMILESC[C@@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C18H22ClNO2/c1-12-8-17(2,3)11-18(9-12)10-15(21)20(16(18)22)14-6-4-13(19)5-7-14/h4-7,12H,8-11H2,1-3H3/t12-,18+/m1/s1
InChIKeyYWSVJDGUFNFHIX-XIKOKIGWSA-N
MW319.83 g/mol
LogP4.44
Rot. Bonds1

About (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione

(5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 6922883) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name(5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione
PubChem CID6922883
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name(5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione
SMILESC[C@@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C18H22ClNO2/c1-12-8-17(2,3)11-18(9-12)10-15(21)20(16(18)22)14-6-4-13(19)5-7-14/h4-7,12H,8-11H2,1-3H3/t12-,18+/m1/s1
InChIKeyYWSVJDGUFNFHIX-XIKOKIGWSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione (CID 6922883) is (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione is C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)C1.
What is the InChIKey of (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is YWSVJDGUFNFHIX-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-12-8-17(2,3)11-18(9-12)10-15(21)20(16(18)22)14-6-4-13(19)5-7-14/h4-7,12H,8-11H2,1-3H3/t12-,18+/m1/s1.
What are the key properties of (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione?
(5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 319.83 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-(4-chlorophenyl)-7,7,9-trimethyl-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 6922883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).