(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium

C16H16N2O3V — CID 11221267

IUPAC(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
SMILESO=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O.O=[V]
InChIInChI=1S/C16H16N2O2.O.V/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;/h1-8,11-12,17-18H,9-10H2;;/b13-11-,14-12-;;
InChIKeyLBBJJHRHJWVXQH-MVGPTFNUSA-N
MW335.26 g/mol
LogP1.20
Rot. Bonds5

About (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium

(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (PubChem CID 11221267) has the molecular formula C16H16N2O3V and a molecular weight of 335.26 g/mol. Its IUPAC name is (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium.

Molecular Properties

Compound Name(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
PubChem CID11221267
Molecular FormulaC16H16N2O3V
Molecular Weight335.26 g/mol
Exact Mass335.06
IUPAC Name(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
SMILESO=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O.O=[V]
InChIInChI=1S/C16H16N2O2.O.V/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;/h1-8,11-12,17-18H,9-10H2;;/b13-11-,14-12-;;
InChIKeyLBBJJHRHJWVXQH-MVGPTFNUSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
The IUPAC name of (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (CID 11221267) is (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium.
What is the SMILES notation for (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
The canonical SMILES for (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is O=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O.O=[V].
What is the InChIKey of (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
The InChIKey is LBBJJHRHJWVXQH-MVGPTFNUSA-N. The full InChI is InChI=1S/C16H16N2O2.O.V/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;/h1-8,11-12,17-18H,9-10H2;;/b13-11-,14-12-;;.
What are the key properties of (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium has a molecular weight of 335.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is sourced from PubChem (CID 11221267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).