3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C13H18Cl2N2O2 — CID 4884645

IUPAC3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC1CC1(Cl)Cl)C2=O
InChIInChI=1S/C13H18Cl2N2O2/c1-8-2-4-12(5-3-8)10(18)17(11(19)16-12)7-9-6-13(9,14)15/h8-9H,2-7H2,1H3,(H,16,19)
InChIKeyCCEAQWORNRIZOE-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.68
Rot. Bonds2

About 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4884645) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4884645
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC1CC1(Cl)Cl)C2=O
InChIInChI=1S/C13H18Cl2N2O2/c1-8-2-4-12(5-3-8)10(18)17(11(19)16-12)7-9-6-13(9,14)15/h8-9H,2-7H2,1H3,(H,16,19)
InChIKeyCCEAQWORNRIZOE-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.68
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'}

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Related Compounds

3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-[(2,2-dichlorocyclopropyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18171164
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4825972
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
3-[[1-(bromomethyl)cyclopropyl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65008305
3-(3-bromo-2-methylpropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 64995610
3-[[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8000634
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169
3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11920976
3-[[1-(2-aminoethyl)cyclopropyl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65481158

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4884645) is 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CC1CC1(Cl)Cl)C2=O.
What is the InChIKey of 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CCEAQWORNRIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-8-2-4-12(5-3-8)10(18)17(11(19)16-12)7-9-6-13(9,14)15/h8-9H,2-7H2,1H3,(H,16,19).
What are the key properties of 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 305.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4884645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).