1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine

C7H11N2O- — CID 163854230

IUPAC1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine
SMILESCNN([O-])C1=CCCC=C1
InChIInChI=1S/C7H11N2O/c1-8-9(10)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3/q-1
InChIKeyCPRURANABXTTTP-UHFFFAOYSA-N
MW139.18 g/mol
LogP1.15
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine

1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine (PubChem CID 163854230) has the molecular formula C7H11N2O- and a molecular weight of 139.18 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine
PubChem CID163854230
Molecular FormulaC7H11N2O-
Molecular Weight139.18 g/mol
Exact Mass139.09
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine
SMILESCNN([O-])C1=CCCC=C1
InChIInChI=1S/C7H11N2O/c1-8-9(10)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3/q-1
InChIKeyCPRURANABXTTTP-UHFFFAOYSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[Cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide
CID 163854229

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine (CID 163854230) is 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine is CNN([O-])C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine?
The InChIKey is CPRURANABXTTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O/c1-8-9(10)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3/q-1.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine?
1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine has a molecular weight of 139.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine is sourced from PubChem (CID 163854230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).