N-methyl-N-naphthalen-1-ylnitramide

C11H10N2O2 — CID 827544

IUPACN-methyl-N-naphthalen-1-ylnitramide
SMILESCN(c1cccc2ccccc12)[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-12(13(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyRXTJPFOQHOSJOT-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.47
Rot. Bonds2

About N-methyl-N-naphthalen-1-ylnitramide

N-methyl-N-naphthalen-1-ylnitramide (PubChem CID 827544) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-methyl-N-naphthalen-1-ylnitramide.

Molecular Properties

Compound NameN-methyl-N-naphthalen-1-ylnitramide
PubChem CID827544
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-methyl-N-naphthalen-1-ylnitramide
SMILESCN(c1cccc2ccccc12)[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-12(13(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyRXTJPFOQHOSJOT-UHFFFAOYSA-N
XLogP2.47
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;N-hydroxy-N-naphthalen-1-ylnitramide
CID 174842769
[naphthalen-1-yl(nitro)amino] nitrite
CID 57299923
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
N,N-dimethyl-1-nitronaphthalen-2-amine
CID 154584370
ethene;N-methyl-N-[(2Z,4E)-4-nitrohexa-2,4-dienyl]naphthalen-1-amine
CID 143268830
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
N-ethenyl-N-methylnaphthalen-1-amine
CID 70602093

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-1-ylnitramide?
The IUPAC name of N-methyl-N-naphthalen-1-ylnitramide (CID 827544) is N-methyl-N-naphthalen-1-ylnitramide.
What is the SMILES notation for N-methyl-N-naphthalen-1-ylnitramide?
The canonical SMILES for N-methyl-N-naphthalen-1-ylnitramide is CN(c1cccc2ccccc12)[N+](=O)[O-].
What is the InChIKey of N-methyl-N-naphthalen-1-ylnitramide?
The InChIKey is RXTJPFOQHOSJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-12(13(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of N-methyl-N-naphthalen-1-ylnitramide?
N-methyl-N-naphthalen-1-ylnitramide has a molecular weight of 202.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-1-ylnitramide is sourced from PubChem (CID 827544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).