2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione

C11H16ClNO2 — CID 89315539

IUPAC2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CCCCl
InChIInChI=1S/C11H16ClNO2/c12-6-3-7-13-9(14)8-11(10(13)15)4-1-2-5-11/h1-8H2
InChIKeyJULZVUNZTBYKDM-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 89315539) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID89315539
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CCCCl
InChIInChI=1S/C11H16ClNO2/c12-6-3-7-13-9(14)8-11(10(13)15)4-1-2-5-11/h1-8H2
InChIKeyJULZVUNZTBYKDM-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
CID 60673991
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
CID 107835367
2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid
CID 79457188
2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60976690
2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
CID 79456834
1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
CID 89315616
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702
2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63239102

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 89315539) is 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is JULZVUNZTBYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-6-3-7-13-9(14)8-11(10(13)15)4-1-2-5-11/h1-8H2.
What are the key properties of 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 229.71 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 89315539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).