carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)

C10H19NOW — CID 20760629

IUPACcarbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)
SMILESC[N-]C1CCC(CC=O)CC1.[CH3-].[W+2]
InChIInChI=1S/C9H16NO.CH3.W/c1-10-9-4-2-8(3-5-9)6-7-11;;/h7-9H,2-6H2,1H3;1H3;/q2*-1;+2
InChIKeyXBNPUOROBYMPKG-UHFFFAOYSA-N
MW353.11 g/mol
LogP2.59
Rot. Bonds3

About carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)

carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+) (PubChem CID 20760629) has the molecular formula C10H19NOW and a molecular weight of 353.11 g/mol. Its IUPAC name is carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)
PubChem CID20760629
Molecular FormulaC10H19NOW
Molecular Weight353.11 g/mol
Exact Mass353.10
IUPAC Namecarbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)
SMILESC[N-]C1CCC(CC=O)CC1.[CH3-].[W+2]
InChIInChI=1S/C9H16NO.CH3.W/c1-10-9-4-2-8(3-5-9)6-7-11;;/h7-9H,2-6H2,1H3;1H3;/q2*-1;+2
InChIKeyXBNPUOROBYMPKG-UHFFFAOYSA-N
XLogP2.59
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.11
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)?
The IUPAC name of carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+) (CID 20760629) is carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+).
What is the SMILES notation for carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)?
The canonical SMILES for carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+) is C[N-]C1CCC(CC=O)CC1.[CH3-].[W+2].
What is the InChIKey of carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)?
The InChIKey is XBNPUOROBYMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO.CH3.W/c1-10-9-4-2-8(3-5-9)6-7-11;;/h7-9H,2-6H2,1H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)?
carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+) has a molecular weight of 353.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+) is sourced from PubChem (CID 20760629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).