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

C18H20N2O3V — CID 5475780

IUPAC(6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
SMILESCC(C)(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.O=[V]
InChIInChI=1S/C18H20N2O2.O.V/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;;/h3-12,19-20H,13H2,1-2H3;;/b14-11-,15-12-;;
InChIKeyWQEVNPPLJKJACG-ZRMXUANWSA-N
MW363.31 g/mol
LogP1.98
Rot. Bonds5

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

(6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (PubChem CID 5475780) has the molecular formula C18H20N2O3V and a molecular weight of 363.31 g/mol. Its IUPAC name is (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium.

Molecular Properties

Compound Name(6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
PubChem CID5475780
Molecular FormulaC18H20N2O3V
Molecular Weight363.31 g/mol
Exact Mass363.09
IUPAC Name(6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
SMILESCC(C)(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.O=[V]
InChIInChI=1S/C18H20N2O2.O.V/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;;/h3-12,19-20H,13H2,1-2H3;;/b14-11-,15-12-;;
InChIKeyWQEVNPPLJKJACG-ZRMXUANWSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]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-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
The IUPAC name of (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (CID 5475780) is (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium.
What is the SMILES notation for (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
The canonical SMILES for (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is CC(C)(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.O=[V].
What is the InChIKey of (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
The InChIKey is WQEVNPPLJKJACG-ZRMXUANWSA-N. The full InChI is InChI=1S/C18H20N2O2.O.V/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;;/h3-12,19-20H,13H2,1-2H3;;/b14-11-,15-12-;;.
What are the key properties of (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?
(6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium has a molecular weight of 363.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is sourced from PubChem (CID 5475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).