4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

C11H19CrN3O4 — CID 88506556

IUPAC4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCCN(CC)C1=CC(C)C(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O
InChIInChI=1S/C11H17N3.Cr.2H2O.2O/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;;;;;/h6-9H,4-5H2,1-3H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyZMYFRFVSDSNTTM-UHFFFAOYSA-L
MW309.29 g/mol
LogP0.73
Rot. Bonds3

About 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium

4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (PubChem CID 88506556) has the molecular formula C11H19CrN3O4 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.

Molecular Properties

Compound Name4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
PubChem CID88506556
Molecular FormulaC11H19CrN3O4
Molecular Weight309.29 g/mol
Exact Mass309.08
IUPAC Name4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
SMILESCCN(CC)C1=CC(C)C(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O
InChIInChI=1S/C11H17N3.Cr.2H2O.2O/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;;;;;/h6-9H,4-5H2,1-3H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyZMYFRFVSDSNTTM-UHFFFAOYSA-L
XLogP0.73
TPSA114.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 50.73
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-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The IUPAC name of 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium (CID 88506556) is 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium.
What is the SMILES notation for 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The canonical SMILES for 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is CCN(CC)C1=CC(C)C(=[N+]=[N-])C=C1.O=[Cr](=O)(O)O.
What is the InChIKey of 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
The InChIKey is ZMYFRFVSDSNTTM-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H17N3.Cr.2H2O.2O/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;;;;;/h6-9H,4-5H2,1-3H3;;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium?
4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium has a molecular weight of 309.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N-diethyl-3-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium is sourced from PubChem (CID 88506556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).