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

C9H13ClN2O2 — CID 130008709

IUPAC1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCC2)N1CCl
InChIInChI=1S/C9H13ClN2O2/c10-6-12-8(14)11-7(13)9(12)4-2-1-3-5-9/h1-6H2,(H,11,13,14)
InChIKeyNQWKBNRPZMIETF-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.44
Rot. Bonds1

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

1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 130008709) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID130008709
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCC2)N1CCl
InChIInChI=1S/C9H13ClN2O2/c10-6-12-8(14)11-7(13)9(12)4-2-1-3-5-9/h1-6H2,(H,11,13,14)
InChIKeyNQWKBNRPZMIETF-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107914237
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 83168970
1-(2-ethylsulfanylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 113474380
1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107887895
1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 113437173
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 104567461
1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 107887894
1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 65165016
1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 82924183
1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
15-(2-methylpropyl)-7,15-diazadispiro[4.2.58.25]pentadecane-6,14-dione
CID 64884969
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 130008709) is 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCCCC2)N1CCl.
What is the InChIKey of 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NQWKBNRPZMIETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c10-6-12-8(14)11-7(13)9(12)4-2-1-3-5-9/h1-6H2,(H,11,13,14).
What are the key properties of 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 216.67 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 130008709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).