diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone

C8H12Cl2N2O — CID 130677729

IUPACdiazinan-1-yl-(2,2-dichlorocyclopropyl)methanone
SMILESO=C(C1CC1(Cl)Cl)N1CCCCN1
InChIInChI=1S/C8H12Cl2N2O/c9-8(10)5-6(8)7(13)12-4-2-1-3-11-12/h6,11H,1-5H2
InChIKeyLHKJRFKFWHVDNW-UHFFFAOYSA-N
MW223.10 g/mol
LogP1.31
Rot. Bonds1

About diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone

diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone (PubChem CID 130677729) has the molecular formula C8H12Cl2N2O and a molecular weight of 223.10 g/mol. Its IUPAC name is diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone.

Molecular Properties

Compound Namediazinan-1-yl-(2,2-dichlorocyclopropyl)methanone
PubChem CID130677729
Molecular FormulaC8H12Cl2N2O
Molecular Weight223.10 g/mol
Exact Mass222.03
IUPAC Namediazinan-1-yl-(2,2-dichlorocyclopropyl)methanone
SMILESO=C(C1CC1(Cl)Cl)N1CCCCN1
InChIInChI=1S/C8H12Cl2N2O/c9-8(10)5-6(8)7(13)12-4-2-1-3-11-12/h6,11H,1-5H2
InChIKeyLHKJRFKFWHVDNW-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride
CID 130645836
2-cyclopentyl-1-(diazinan-1-yl)ethanone
CID 130871502
diazinan-1-yl(methylarsanyl)methanone
CID 173274615
pyrazolidine-1-carboxamide
CID 18386779
1-[(1R)-2,2-dichlorocyclopropanecarbonyl]-1,4-diazepan-5-one
CID 2129461
2-bicyclo[2.2.1]heptanyl(pyrazolidin-1-yl)methanone
CID 131123694
(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561130
1-(diazinan-1-yl)-3-methylbutan-1-one
CID 126990065
(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride
CID 130874964
diazinan-1-yl(pyridazin-4-yl)methanone
CID 130847138
1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione
CID 69417806
(E)-3-methylsulfanyl-1-pyrazolidin-1-ylprop-2-en-1-one
CID 131233049

Frequently Asked Questions

What is the IUPAC name of diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone?
The IUPAC name of diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone (CID 130677729) is diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone.
What is the SMILES notation for diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone?
The canonical SMILES for diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone is O=C(C1CC1(Cl)Cl)N1CCCCN1.
What is the InChIKey of diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone?
The InChIKey is LHKJRFKFWHVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N2O/c9-8(10)5-6(8)7(13)12-4-2-1-3-11-12/h6,11H,1-5H2.
What are the key properties of diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone?
diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone has a molecular weight of 223.10 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazinan-1-yl-(2,2-dichlorocyclopropyl)methanone is sourced from PubChem (CID 130677729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).