[cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide

C7H12N2O — CID 163854229

IUPAC[cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide
SMILESC[N-][NH+](O)C1=CCCC=C1
InChIInChI=1S/C7H12N2O/c1-8-9(10)7-5-3-2-4-6-7/h3,5-6,9-10H,2,4H2,1H3
InChIKeyOWYDWKBRFOCJEF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.41
Rot. Bonds2

About [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide

[cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide (PubChem CID 163854229) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide.

Molecular Properties

Compound Name[cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide
PubChem CID163854229
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name[cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide
SMILESC[N-][NH+](O)C1=CCCC=C1
InChIInChI=1S/C7H12N2O/c1-8-9(10)7-5-3-2-4-6-7/h3,5-6,9-10H,2,4H2,1H3
InChIKeyOWYDWKBRFOCJEF-UHFFFAOYSA-N
XLogP0.41
TPSA38.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminocyclohexa-1,3-dien-1-yl)amino]-N-(1-fluoroethenyl)hydroxylamine
CID 144831942
2-hydroxy-6-propan-2-yl-1H-pyridazine
CID 134566828
N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine
CID 152779640
N-[[(3E)-hexa-3,5-dien-3-yl]amino]-N-methylnitrous amide
CID 163646341
1-Cyclohexa-1,5-dien-1-yl-2-methyl-1-oxidohydrazine
CID 163854230

Frequently Asked Questions

What is the IUPAC name of [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide?
The IUPAC name of [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide (CID 163854229) is [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide.
What is the SMILES notation for [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide?
The canonical SMILES for [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide is C[N-][NH+](O)C1=CCCC=C1.
What is the InChIKey of [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide?
The InChIKey is OWYDWKBRFOCJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-9(10)7-5-3-2-4-6-7/h3,5-6,9-10H,2,4H2,1H3.
What are the key properties of [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide?
[cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide has a molecular weight of 140.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide is sourced from PubChem (CID 163854229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).