1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)

C16H40N6O6SW — CID 167541430

IUPAC1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)
SMILESCC#CC.CC(=O)CN.CN.CN=[N+]=[N-].CON.COS(C)(=O)=O.[CH2-]C(C)=O.[CH3-].[W+2]
InChIInChI=1S/C4H6.C3H7NO.C3H5O.C2H6O3S.CH3N3.CH5NO.CH5N.CH3.W/c1-3-4-2;1-3(5)2-4;1-3(2)4;1-5-6(2,3)4;1-3-4-2;1-3-2;1-2;;/h1-2H3;2,4H2,1H3;1H2,2H3;1-2H3;1H3;2H2,1H3;2H2,1H3;1H3;/q;;-1;;;;;-1;+2
InChIKeyBGBADHYENGKQGD-UHFFFAOYSA-N
MW628.44 g/mol
LogP1.02
Rot. Bonds2

About 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)

1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+) (PubChem CID 167541430) has the molecular formula C16H40N6O6SW and a molecular weight of 628.44 g/mol. Its IUPAC name is 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+).

Molecular Properties

Compound Name1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)
PubChem CID167541430
Molecular FormulaC16H40N6O6SW
Molecular Weight628.44 g/mol
Exact Mass628.22
IUPAC Name1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)
SMILESCC#CC.CC(=O)CN.CN.CN=[N+]=[N-].CON.COS(C)(=O)=O.[CH2-]C(C)=O.[CH3-].[W+2]
InChIInChI=1S/C4H6.C3H7NO.C3H5O.C2H6O3S.CH3N3.CH5NO.CH5N.CH3.W/c1-3-4-2;1-3(5)2-4;1-3(2)4;1-5-6(2,3)4;1-3-4-2;1-3-2;1-2;;/h1-2H3;2,4H2,1H3;1H2,2H3;1-2H3;1H3;2H2,1H3;2H2,1H3;1H3;/q;;-1;;;;;-1;+2
InChIKeyBGBADHYENGKQGD-UHFFFAOYSA-N
XLogP1.02
TPSA213.56 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.44
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-aminopropan-2-one;azidomethane;O-methylhydroxylamine
CID 159740744
butane;methyl methanesulfonate
CID 174496202
methylimino(oxo)methane;methyl methanesulfonate
CID 87841952
azidomethane;ethyl 2,2-dimethylpropanoate;phosphane
CID 161474918
methyl methanesulfonate;methyl propanoate
CID 174856082
but-2-yne;ethyl acetate
CID 175723988
1-aminooxypropan-2-one;1-aminopropan-2-one
CID 158191453
butyl 2-methylprop-2-enoate;methyl methanesulfonate
CID 175093027
azidomethane;methoxy(methyl)phosphane
CID 90769338
azidoethane;methanesulfonic acid
CID 123670862
acetyl 2-azidobutanoate
CID 75409795
butan-2-one;propan-2-one;uranium
CID 160776251

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)?
The IUPAC name of 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+) (CID 167541430) is 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+).
What is the SMILES notation for 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)?
The canonical SMILES for 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+) is CC#CC.CC(=O)CN.CN.CN=[N+]=[N-].CON.COS(C)(=O)=O.[CH2-]C(C)=O.[CH3-].[W+2].
What is the InChIKey of 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)?
The InChIKey is BGBADHYENGKQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C3H7NO.C3H5O.C2H6O3S.CH3N3.CH5NO.CH5N.CH3.W/c1-3-4-2;1-3(5)2-4;1-3(2)4;1-5-6(2,3)4;1-3-4-2;1-3-2;1-2;;/h1-2H3;2,4H2,1H3;1H2,2H3;1-2H3;1H3;2H2,1H3;2H2,1H3;1H3;/q;;-1;;;;;-1;+2.
What are the key properties of 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+)?
1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+) has a molecular weight of 628.44 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-one;azidomethane;but-2-yne;carbanide;methanamine;O-methylhydroxylamine;methyl methanesulfonate;propan-2-one;tungsten(2+) is sourced from PubChem (CID 167541430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).