[1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium

C6H9N3O2V — CID 164971380

IUPAC[1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium
SMILES[H]/N=C(/C=CC(=[V])N(C)C)[N+](=O)[O-]
InChIInChI=1S/C6H9N3O2.V/c1-8(2)5-3-4-6(7)9(10)11;/h3-4,7H,1-2H3;/b4-3?,7-6-;
InChIKeyXWOADHMJHHZSLU-NAEDREHRSA-N
MW206.10 g/mol
LogP0.03
Rot. Bonds3

About [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium

[1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium (PubChem CID 164971380) has the molecular formula C6H9N3O2V and a molecular weight of 206.10 g/mol. Its IUPAC name is [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium.

Molecular Properties

Compound Name[1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium
PubChem CID164971380
Molecular FormulaC6H9N3O2V
Molecular Weight206.10 g/mol
Exact Mass206.01
IUPAC Name[1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium
SMILES[H]/N=C(/C=CC(=[V])N(C)C)[N+](=O)[O-]
InChIInChI=1S/C6H9N3O2.V/c1-8(2)5-3-4-6(7)9(10)11;/h3-4,7H,1-2H3;/b4-3?,7-6-;
InChIKeyXWOADHMJHHZSLU-NAEDREHRSA-N
XLogP0.03
TPSA70.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium?
The IUPAC name of [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium (CID 164971380) is [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium.
What is the SMILES notation for [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium?
The canonical SMILES for [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium is [H]/N=C(/C=CC(=[V])N(C)C)[N+](=O)[O-].
What is the InChIKey of [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium?
The InChIKey is XWOADHMJHHZSLU-NAEDREHRSA-N. The full InChI is InChI=1S/C6H9N3O2.V/c1-8(2)5-3-4-6(7)9(10)11;/h3-4,7H,1-2H3;/b4-3?,7-6-;.
What are the key properties of [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium?
[1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium has a molecular weight of 206.10 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium is sourced from PubChem (CID 164971380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).