3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C14H15ClN2O2 — CID 1448368

IUPAC3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c15-10-4-6-11(7-5-10)17-12(18)14(16-13(17)19)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,16,19)
InChIKeyBDFOKTKJNMLZGR-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.10
Rot. Bonds1

About 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 1448368) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID1448368
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c15-10-4-6-11(7-5-10)17-12(18)14(16-13(17)19)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,16,19)
InChIKeyBDFOKTKJNMLZGR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 1448368) is 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BDFOKTKJNMLZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-10-4-6-11(7-5-10)17-12(18)14(16-13(17)19)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,16,19).
What are the key properties of 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 1448368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).