N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide

C13H13NO3 — CID 91726094

IUPACN-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCC(C=O)C2=O
InChIInChI=1S/C13H13NO3/c1-8(16)14-12-4-2-3-11-10(12)6-5-9(7-15)13(11)17/h2-4,7,9H,5-6H2,1H3,(H,14,16)
InChIKeyOCUAAZXFQVYHDP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.59
Rot. Bonds2

About N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide

N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide (PubChem CID 91726094) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
PubChem CID91726094
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCC(C=O)C2=O
InChIInChI=1S/C13H13NO3/c1-8(16)14-12-4-2-3-11-10(12)6-5-9(7-15)13(11)17/h2-4,7,9H,5-6H2,1H3,(H,14,16)
InChIKeyOCUAAZXFQVYHDP-UHFFFAOYSA-N
XLogP1.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
N-[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836484
N-[(6R)-6-amino-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 18650731
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-[5-amino-6-(cyclopropylmethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19773373
N-(5-acetamido-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 19773270
N-[6-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836522
N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 66875746
methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667

Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
The IUPAC name of N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide (CID 91726094) is N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide.
What is the SMILES notation for N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
The canonical SMILES for N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide is CC(=O)Nc1cccc2c1CCC(C=O)C2=O.
What is the InChIKey of N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
The InChIKey is OCUAAZXFQVYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(16)14-12-4-2-3-11-10(12)6-5-9(7-15)13(11)17/h2-4,7,9H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide?
N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide is sourced from PubChem (CID 91726094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).