carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium

C11H23NO2VW-2 — CID 58883185

IUPACcarbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium
SMILES[CH2-]C(C)C(OC)C(C(C)=O)N(C)C.[CH3-].[V].[W]
InChIInChI=1S/C10H20NO2.CH3.V.W/c1-7(2)10(13-6)9(8(3)12)11(4)5;;;/h7,9-10H,1H2,2-6H3;1H3;;/q2*-1;;
InChIKeyNEZCEYAWQKOJGV-UHFFFAOYSA-N
MW436.09 g/mol
LogP1.44
Rot. Bonds5

About carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium

carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium (PubChem CID 58883185) has the molecular formula C11H23NO2VW-2 and a molecular weight of 436.09 g/mol. Its IUPAC name is carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium.

Molecular Properties

Compound Namecarbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium
PubChem CID58883185
Molecular FormulaC11H23NO2VW-2
Molecular Weight436.09 g/mol
Exact Mass436.07
IUPAC Namecarbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium
SMILES[CH2-]C(C)C(OC)C(C(C)=O)N(C)C.[CH3-].[V].[W]
InChIInChI=1S/C10H20NO2.CH3.V.W/c1-7(2)10(13-6)9(8(3)12)11(4)5;;;/h7,9-10H,1H2,2-6H3;1H3;;/q2*-1;;
InChIKeyNEZCEYAWQKOJGV-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.09
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium?
The IUPAC name of carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium (CID 58883185) is carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium.
What is the SMILES notation for carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium?
The canonical SMILES for carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium is [CH2-]C(C)C(OC)C(C(C)=O)N(C)C.[CH3-].[V].[W].
What is the InChIKey of carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium?
The InChIKey is NEZCEYAWQKOJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2.CH3.V.W/c1-7(2)10(13-6)9(8(3)12)11(4)5;;;/h7,9-10H,1H2,2-6H3;1H3;;/q2*-1;;.
What are the key properties of carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium?
carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium has a molecular weight of 436.09 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-(dimethylamino)-5-methanidyl-4-methoxyhexan-2-one;tungsten;vanadium is sourced from PubChem (CID 58883185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).