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

C5H9NOW — CID 20593621

IUPACcarbanide;1-methanidyliminopropan-2-one;tungsten(2+)
SMILES[CH2-]/N=C/C(C)=O.[CH3-].[W+2]
InChIInChI=1S/C4H6NO.CH3.W/c1-4(6)3-5-2;;/h3H,2H2,1H3;1H3;/q2*-1;+2/b5-3+;;
InChIKeyKAPDTHGFQRZOCN-RQCPZROWSA-N
MW282.97 g/mol
LogP0.89
Rot. Bonds1

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

carbanide;1-methanidyliminopropan-2-one;tungsten(2+) (PubChem CID 20593621) has the molecular formula C5H9NOW and a molecular weight of 282.97 g/mol. Its IUPAC name is carbanide;1-methanidyliminopropan-2-one;tungsten(2+).

Molecular Properties

Compound Namecarbanide;1-methanidyliminopropan-2-one;tungsten(2+)
PubChem CID20593621
Molecular FormulaC5H9NOW
Molecular Weight282.97 g/mol
Exact Mass283.02
IUPAC Namecarbanide;1-methanidyliminopropan-2-one;tungsten(2+)
SMILES[CH2-]/N=C/C(C)=O.[CH3-].[W+2]
InChIInChI=1S/C4H6NO.CH3.W/c1-4(6)3-5-2;;/h3H,2H2,1H3;1H3;/q2*-1;+2/b5-3+;;
InChIKeyKAPDTHGFQRZOCN-RQCPZROWSA-N
XLogP0.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.97
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-Ethyliminobutan-2-one
CID 409579
2-Propanone, 1-[(1,1-dimethylethyl)imino]-
CID 12453688
1-Propan-2-yliminopropan-2-one
CID 13498915
(1E)-1-(Methylimino)propan-2-one
CID 13614138
4-Methyliminobutan-2-one
CID 19437467
1-(Ethylideneamino)propan-2-one
CID 20587523
1-Methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)
CID 22986874
Dimethyl(2-oxopropylidene)azanium
CID 53938031
1-Ethyliminopropan-2-one
CID 59830944
1-Ethyliminobutan-2-one
CID 88472534
1-Butyliminobutan-2-one
CID 90897405
1-Methyliminobutan-2-one
CID 123856671

Frequently Asked Questions

What is the IUPAC name of carbanide;1-methanidyliminopropan-2-one;tungsten(2+)?
The IUPAC name of carbanide;1-methanidyliminopropan-2-one;tungsten(2+) (CID 20593621) is carbanide;1-methanidyliminopropan-2-one;tungsten(2+).
What is the SMILES notation for carbanide;1-methanidyliminopropan-2-one;tungsten(2+)?
The canonical SMILES for carbanide;1-methanidyliminopropan-2-one;tungsten(2+) is [CH2-]/N=C/C(C)=O.[CH3-].[W+2].
What is the InChIKey of carbanide;1-methanidyliminopropan-2-one;tungsten(2+)?
The InChIKey is KAPDTHGFQRZOCN-RQCPZROWSA-N. The full InChI is InChI=1S/C4H6NO.CH3.W/c1-4(6)3-5-2;;/h3H,2H2,1H3;1H3;/q2*-1;+2/b5-3+;;.
What are the key properties of carbanide;1-methanidyliminopropan-2-one;tungsten(2+)?
carbanide;1-methanidyliminopropan-2-one;tungsten(2+) has a molecular weight of 282.97 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-methanidyliminopropan-2-one;tungsten(2+) is sourced from PubChem (CID 20593621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).