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

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

(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (PubChem CID 5475779) has the molecular formula C17H18N2O3V and a molecular weight of 349.29 g/mol. Its IUPAC name is (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]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]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
PubChem CID	5475779
Molecular Formula	C17H18N2O3V
Molecular Weight	349.29 g/mol
Exact Mass	349.08
IUPAC Name	(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
SMILES	CC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=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;;/b14-11-,15-12-;;
InChIKey	PGHYRKUJYYKNMC-ZRMXUANWSA-N
XLogP	1.59
TPSA	75.27 Å²
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'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]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]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium (CID 5475779) is (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]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]propylamino]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]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is CC(CN/C=C1/C=CC=CC1=O)N/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]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium?

The InChIKey is PGHYRKUJYYKNMC-ZRMXUANWSA-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;;/b14-11-,15-12-;;.

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

(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]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 (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium is sourced from PubChem (CID 5475779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).