6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium

C17H18N2O3V — CID 6798101

About 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium

6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (PubChem CID 6798101) has the molecular formula C17H18N2O3V and a molecular weight of 349.29 g/mol. Its IUPAC name is 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium.

Molecular Properties

• Compound Name: 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
• PubChem CID: 6798101
• Molecular Formula: C17H18N2O3V
• Molecular Weight: 349.29 g/mol
• Exact Mass: 349.08
• IUPAC Name: 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
• SMILES: CC(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O.O=[V]
• InChI: InChI=1S/C17H18N2O2.O.V/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20;;/h2-9,11-13,18-19H,10H2,1H3
• InChIKey: PGHYRKUJYYKNMC-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.29
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?

The IUPAC name of 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (CID 6798101) is 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium.

What is the SMILES notation for 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?

The canonical SMILES for 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is CC(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O.O=[V].

What is the InChIKey of 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?

The InChIKey is PGHYRKUJYYKNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.O.V/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20;;/h2-9,11-13,18-19H,10H2,1H3;;.

What are the key properties of 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?

6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium has a molecular weight of 349.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is sourced from PubChem (CID 6798101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).