N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide

C12H13NO2 — CID 19377150

IUPACN-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide
SMILESCN(C=O)C1CCC(=O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-13(8-14)11-6-7-12(15)10-5-3-2-4-9(10)11/h2-5,8,11H,6-7H2,1H3
InChIKeyCAUWAAFMKRFEAG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.79
Rot. Bonds2

About N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide

N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide (PubChem CID 19377150) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide
PubChem CID19377150
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide
SMILESCN(C=O)C1CCC(=O)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-13(8-14)11-6-7-12(15)10-5-3-2-4-9(10)11/h2-5,8,11H,6-7H2,1H3
InChIKeyCAUWAAFMKRFEAG-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide?
The IUPAC name of N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide (CID 19377150) is N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide.
What is the SMILES notation for N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide?
The canonical SMILES for N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide is CN(C=O)C1CCC(=O)c2ccccc21.
What is the InChIKey of N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide?
The InChIKey is CAUWAAFMKRFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13(8-14)11-6-7-12(15)10-5-3-2-4-9(10)11/h2-5,8,11H,6-7H2,1H3.
What are the key properties of N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide?
N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide has a molecular weight of 203.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)formamide is sourced from PubChem (CID 19377150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).