1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)

C7H10N2O2W — CID 22986874

IUPAC1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)
SMILESCC(=O)C=[N-].[CH2-]/N=C/C(C)=O.[W+2]
InChIInChI=1S/C4H6NO.C3H4NO.W/c1-4(6)3-5-2;1-3(5)2-4;/h3H,2H2,1H3;2H,1H3;/q2*-1;+2/b5-3+;;
InChIKeyBNOXLPROAQOCFD-RQCPZROWSA-N
MW338.01 g/mol
LogP0.65
Rot. Bonds2

About 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)

1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+) (PubChem CID 22986874) has the molecular formula C7H10N2O2W and a molecular weight of 338.01 g/mol. Its IUPAC name is 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+).

Molecular Properties

Compound Name1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)
PubChem CID22986874
Molecular FormulaC7H10N2O2W
Molecular Weight338.01 g/mol
Exact Mass338.03
IUPAC Name1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)
SMILESCC(=O)C=[N-].[CH2-]/N=C/C(C)=O.[W+2]
InChIInChI=1S/C4H6NO.C3H4NO.W/c1-4(6)3-5-2;1-3(5)2-4;/h3H,2H2,1H3;2H,1H3;/q2*-1;+2/b5-3+;;
InChIKeyBNOXLPROAQOCFD-RQCPZROWSA-N
XLogP0.65
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.01
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-(Methylimino)propan-2-one
CID 13614138
Carbanide;1-methanidyliminopropan-2-one;tungsten(2+)
CID 20593621
1-Ethyliminopropan-2-one
CID 59830944
1-Ethyliminobutan-2-one
CID 88472534
Hydroxy-methyl-(2-oxopropylidene)azanium
CID 91181979
N'-methyl-N-(2-oxopropylidene)methanimidamide
CID 122579472
1-Methyliminobutan-2-one
CID 123856671
N-methyl-2-oxobutan-1-imine oxide
CID 139632428
Methane;1-methyliminopropan-2-one
CID 157054980
Methylidene(2-oxobutylidene)azanium
CID 164132113

Frequently Asked Questions

What is the IUPAC name of 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)?
The IUPAC name of 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+) (CID 22986874) is 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+).
What is the SMILES notation for 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)?
The canonical SMILES for 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+) is CC(=O)C=[N-].[CH2-]/N=C/C(C)=O.[W+2].
What is the InChIKey of 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)?
The InChIKey is BNOXLPROAQOCFD-RQCPZROWSA-N. The full InChI is InChI=1S/C4H6NO.C3H4NO.W/c1-4(6)3-5-2;1-3(5)2-4;/h3H,2H2,1H3;2H,1H3;/q2*-1;+2/b5-3+;;.
What are the key properties of 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)?
1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+) has a molecular weight of 338.01 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+) is sourced from PubChem (CID 22986874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).