N-(2,5-dihydroxyphenyl)-N-methylnitrous amide

C7H8N2O3 — CID 2990

IUPACN-(2,5-dihydroxyphenyl)-N-methylnitrous amide
SMILESCN(N=O)c1cc(O)ccc1O
InChIInChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3
InChIKeyHCJOLYFWJWJPTJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.22
Rot. Bonds2

About N-(2,5-dihydroxyphenyl)-N-methylnitrous amide

N-(2,5-dihydroxyphenyl)-N-methylnitrous amide (PubChem CID 2990) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)-N-methylnitrous amide
PubChem CID2990
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN-(2,5-dihydroxyphenyl)-N-methylnitrous amide
SMILESCN(N=O)c1cc(O)ccc1O
InChIInChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3
InChIKeyHCJOLYFWJWJPTJ-UHFFFAOYSA-N
XLogP1.22
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-(2,5-dihydroxyphenyl)-N-methylnitrous amide?
The IUPAC name of N-(2,5-dihydroxyphenyl)-N-methylnitrous amide (CID 2990) is N-(2,5-dihydroxyphenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)-N-methylnitrous amide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)-N-methylnitrous amide is CN(N=O)c1cc(O)ccc1O.
What is the InChIKey of N-(2,5-dihydroxyphenyl)-N-methylnitrous amide?
The InChIKey is HCJOLYFWJWJPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3.
What are the key properties of N-(2,5-dihydroxyphenyl)-N-methylnitrous amide?
N-(2,5-dihydroxyphenyl)-N-methylnitrous amide has a molecular weight of 168.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxyphenyl)-N-methylnitrous amide is sourced from PubChem (CID 2990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).