N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide

C10H13N3O2 — CID 162414789

IUPACN-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide
SMILESCC(=O)N(C)/N=N/c1ccccc1CO
InChIInChI=1S/C10H13N3O2/c1-8(15)13(2)12-11-10-6-4-3-5-9(10)7-14/h3-6,14H,7H2,1-2H3/b12-11+
InChIKeyUYWBQGHNRYZWKS-VAWYXSNFSA-N
MW207.23 g/mol
LogP1.66
Rot. Bonds3

About N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide

N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide (PubChem CID 162414789) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide
PubChem CID162414789
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide
SMILESCC(=O)N(C)/N=N/c1ccccc1CO
InChIInChI=1S/C10H13N3O2/c1-8(15)13(2)12-11-10-6-4-3-5-9(10)7-14/h3-6,14H,7H2,1-2H3/b12-11+
InChIKeyUYWBQGHNRYZWKS-VAWYXSNFSA-N
XLogP1.66
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide (CID 162414789) is N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide is CC(=O)N(C)/N=N/c1ccccc1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide?
The InChIKey is UYWBQGHNRYZWKS-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(15)13(2)12-11-10-6-4-3-5-9(10)7-14/h3-6,14H,7H2,1-2H3/b12-11+.
What are the key properties of N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide?
N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide has a molecular weight of 207.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]diazenyl]-N-methylacetamide is sourced from PubChem (CID 162414789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).