N-(5-cyano-4-nitronaphthalen-1-yl)acetamide

C13H9N3O3 — CID 10264330

IUPACN-(5-cyano-4-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)cccc12
InChIInChI=1S/C13H9N3O3/c1-8(17)15-11-5-6-12(16(18)19)13-9(7-14)3-2-4-10(11)13/h2-6H,1H3,(H,15,17)
InChIKeyCHYAZUOKKVQHRG-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.58
Rot. Bonds2

About N-(5-cyano-4-nitronaphthalen-1-yl)acetamide

N-(5-cyano-4-nitronaphthalen-1-yl)acetamide (PubChem CID 10264330) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is N-(5-cyano-4-nitronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-4-nitronaphthalen-1-yl)acetamide
PubChem CID10264330
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC NameN-(5-cyano-4-nitronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)cccc12
InChIInChI=1S/C13H9N3O3/c1-8(17)15-11-5-6-12(16(18)19)13-9(7-14)3-2-4-10(11)13/h2-6H,1H3,(H,15,17)
InChIKeyCHYAZUOKKVQHRG-UHFFFAOYSA-N
XLogP2.58
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide
CID 10061609
5-acetamido-8-nitronaphthalene-1-sulfonyl chloride
CID 121000680
5-amino-8-nitronaphthalene-1-carbonitrile
CID 10353154
N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide
CID 139242181
N-[5-[3-(3-acetamido-4-nitrophenoxy)phenoxy]-2-nitrophenyl]acetamide
CID 142761150
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
N-(2,6-dicyanophenyl)acetamide
CID 151583122
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
CID 5485377
N-(4,5-dicyano-2-nitrophenyl)-3-methylbenzamide
CID 175232019
tert-butyl N-(4-nitronaphthalen-1-yl)carbamate
CID 15544597
4,5-dinitro-N-propylnaphthalen-1-amine
CID 25215565

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-nitronaphthalen-1-yl)acetamide?
The IUPAC name of N-(5-cyano-4-nitronaphthalen-1-yl)acetamide (CID 10264330) is N-(5-cyano-4-nitronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(5-cyano-4-nitronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(5-cyano-4-nitronaphthalen-1-yl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)cccc12.
What is the InChIKey of N-(5-cyano-4-nitronaphthalen-1-yl)acetamide?
The InChIKey is CHYAZUOKKVQHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c1-8(17)15-11-5-6-12(16(18)19)13-9(7-14)3-2-4-10(11)13/h2-6H,1H3,(H,15,17).
What are the key properties of N-(5-cyano-4-nitronaphthalen-1-yl)acetamide?
N-(5-cyano-4-nitronaphthalen-1-yl)acetamide has a molecular weight of 255.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-nitronaphthalen-1-yl)acetamide is sourced from PubChem (CID 10264330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).