3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H15ClN2O2 — CID 14639021

IUPAC3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCCC2
InChIInChI=1S/C14H15ClN2O2/c1-16-13(19)17(11-6-4-10(15)5-7-11)12(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3
InChIKeyHVECOXMCIZKLML-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.05
Rot. Bonds1

About 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 14639021) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID14639021
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCCC2
InChIInChI=1S/C14H15ClN2O2/c1-16-13(19)17(11-6-4-10(15)5-7-11)12(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3
InChIKeyHVECOXMCIZKLML-UHFFFAOYSA-N
XLogP3.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.05
H-Bond Donors ≤ 50
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-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 14639021) is 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione is CN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCCC2.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HVECOXMCIZKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-16-13(19)17(11-6-4-10(15)5-7-11)12(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 14639021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).