4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

C10H17CrN3O4 — CID 88506545

IUPAC4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCC1=CC(N(C)C)=C(C)CC1=[N+]=[N-].O=[Cr](=O)(O)O
InChIInChI=1S/C10H15N3.Cr.2H2O.2O/c1-7-6-10(13(3)4)8(2)5-9(7)12-11;;;;;/h6H,5H2,1-4H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyKVQXHKPZVLAQAQ-UHFFFAOYSA-L
MW295.26 g/mol
LogP0.49
Rot. Bonds1

About 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (PubChem CID 88506545) has the molecular formula C10H17CrN3O4 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.

Molecular Properties

Compound Name4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
PubChem CID88506545
Molecular FormulaC10H17CrN3O4
Molecular Weight295.26 g/mol
Exact Mass295.06
IUPAC Name4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCC1=CC(N(C)C)=C(C)CC1=[N+]=[N-].O=[Cr](=O)(O)O
InChIInChI=1S/C10H15N3.Cr.2H2O.2O/c1-7-6-10(13(3)4)8(2)5-9(7)12-11;;;;;/h6H,5H2,1-4H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyKVQXHKPZVLAQAQ-UHFFFAOYSA-L
XLogP0.49
TPSA114.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The IUPAC name of 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (CID 88506545) is 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.
What is the SMILES notation for 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The canonical SMILES for 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is CC1=CC(N(C)C)=C(C)CC1=[N+]=[N-].O=[Cr](=O)(O)O.
What is the InChIKey of 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The InChIKey is KVQXHKPZVLAQAQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15N3.Cr.2H2O.2O/c1-7-6-10(13(3)4)8(2)5-9(7)12-11;;;;;/h6H,5H2,1-4H3;;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium has a molecular weight of 295.26 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N,2,5-tetramethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is sourced from PubChem (CID 88506545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).