chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)

C18H22CrN4O2+ — CID 6849612

IUPACchromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)
SMILES[Cr+3].[NH-]CCNC=C1C=CC=CC1=O.[NH-]CCNC=C1C=CC=CC1=O
InChIInChI=1S/2C9H11N2O.Cr/c2*10-5-6-11-7-8-3-1-2-4-9(8)12;/h2*1-4,7,10-11H,5-6H2;/q2*-1;+3
InChIKeyVQRYAQASLGAGPY-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.41
Rot. Bonds6

About chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)

chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide) (PubChem CID 6849612) has the molecular formula C18H22CrN4O2+ and a molecular weight of 378.40 g/mol. Its IUPAC name is chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide).

Molecular Properties

Compound Namechromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)
PubChem CID6849612
Molecular FormulaC18H22CrN4O2+
Molecular Weight378.40 g/mol
Exact Mass378.11
IUPAC Namechromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)
SMILES[Cr+3].[NH-]CCNC=C1C=CC=CC1=O.[NH-]CCNC=C1C=CC=CC1=O
InChIInChI=1S/2C9H11N2O.Cr/c2*10-5-6-11-7-8-3-1-2-4-9(8)12;/h2*1-4,7,10-11H,5-6H2;/q2*-1;+3
InChIKeyVQRYAQASLGAGPY-UHFFFAOYSA-N
XLogP2.41
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)?
The IUPAC name of chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide) (CID 6849612) is chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide).
What is the SMILES notation for chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)?
The canonical SMILES for chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide) is [Cr+3].[NH-]CCNC=C1C=CC=CC1=O.[NH-]CCNC=C1C=CC=CC1=O.
What is the InChIKey of chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)?
The InChIKey is VQRYAQASLGAGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N2O.Cr/c2*10-5-6-11-7-8-3-1-2-4-9(8)12;/h2*1-4,7,10-11H,5-6H2;/q2*-1;+3.
What are the key properties of chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)?
chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide) has a molecular weight of 378.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide) is sourced from PubChem (CID 6849612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).