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

C8H13CrN3O4 — CID 19805255

IUPAC4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCN(C)C1=CCC(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O
InChIInChI=1S/C8H11N3.Cr.2H2O.2O/c1-11(2)8-5-3-7(10-9)4-6-8;;;;;/h3,5-6H,4H2,1-2H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyRFDRKSUKWAUDAQ-UHFFFAOYSA-L
MW267.20 g/mol
LogP-0.29
Rot. Bonds1

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

4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (PubChem CID 19805255) has the molecular formula C8H13CrN3O4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.

Molecular Properties

Compound Name4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
PubChem CID19805255
Molecular FormulaC8H13CrN3O4
Molecular Weight267.20 g/mol
Exact Mass267.03
IUPAC Name4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCN(C)C1=CCC(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O
InChIInChI=1S/C8H11N3.Cr.2H2O.2O/c1-11(2)8-5-3-7(10-9)4-6-8;;;;;/h3,5-6H,4H2,1-2H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyRFDRKSUKWAUDAQ-UHFFFAOYSA-L
XLogP-0.29
TPSA114.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 5-0.29
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-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The IUPAC name of 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (CID 19805255) is 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.
What is the SMILES notation for 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The canonical SMILES for 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is CN(C)C1=CCC(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O.
What is the InChIKey of 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The InChIKey is RFDRKSUKWAUDAQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11N3.Cr.2H2O.2O/c1-11(2)8-5-3-7(10-9)4-6-8;;;;;/h3,5-6H,4H2,1-2H3;;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of 4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium has a molecular weight of 267.20 g/mol, XLogP of -0.29, 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-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is sourced from PubChem (CID 19805255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).