3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

C11H15ClN2O2 — CID 80655736

IUPAC3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESCC(Cl)C1=NC(=O)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C11H15ClN2O2/c1-7(12)8-13-9(15)11(10(16)14-8)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyOZHSKJHRYWUWPM-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.62
Rot. Bonds1

About 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (PubChem CID 80655736) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.

Molecular Properties

Compound Name3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
PubChem CID80655736
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESCC(Cl)C1=NC(=O)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C11H15ClN2O2/c1-7(12)8-13-9(15)11(10(16)14-8)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyOZHSKJHRYWUWPM-UHFFFAOYSA-N
XLogP1.62
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(ethylaminomethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
CID 79502032
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
CID 79501267
6-(methylaminomethyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
CID 79501692
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
8,11-diazaspiro[5.6]dodecane-7,12-dione
CID 82469216
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115946879

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The IUPAC name of 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (CID 80655736) is 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.
What is the SMILES notation for 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The canonical SMILES for 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is CC(Cl)C1=NC(=O)C2(CCCCC2)C(=O)N1.
What is the InChIKey of 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The InChIKey is OZHSKJHRYWUWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(12)8-13-9(15)11(10(16)14-8)5-3-2-4-6-11/h7H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione has a molecular weight of 242.71 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is sourced from PubChem (CID 80655736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).