N-(3-nitrosophenyl)-3-oxobutanamide

C10H10N2O3 — CID 163535086

IUPACN-(3-nitrosophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cccc(N=O)c1
InChIInChI=1S/C10H10N2O3/c1-7(13)5-10(14)11-8-3-2-4-9(6-8)12-15/h2-4,6H,5H2,1H3,(H,11,14)
InChIKeyDWFYUHIHGOCFNI-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.00
Rot. Bonds4

About N-(3-nitrosophenyl)-3-oxobutanamide

N-(3-nitrosophenyl)-3-oxobutanamide (PubChem CID 163535086) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-(3-nitrosophenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3-nitrosophenyl)-3-oxobutanamide
PubChem CID163535086
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-(3-nitrosophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cccc(N=O)c1
InChIInChI=1S/C10H10N2O3/c1-7(13)5-10(14)11-8-3-2-4-9(6-8)12-15/h2-4,6H,5H2,1H3,(H,11,14)
InChIKeyDWFYUHIHGOCFNI-UHFFFAOYSA-N
XLogP2.00
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-phenylbutanamide
CID 161275903
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
3-oxo-N-(3-pyrimidin-5-ylphenyl)butanamide
CID 110460628
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
CID 61248263
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
[3-(3-oxobutanoylamino)phenyl] hydrogen sulfite
CID 57119666
2-[[3-(3-oxobutanoylamino)phenyl]carbamoyl]benzoic acid
CID 139947577
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
N-[3-(methylideneamino)phenyl]acetamide
CID 21029877

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrosophenyl)-3-oxobutanamide?
The IUPAC name of N-(3-nitrosophenyl)-3-oxobutanamide (CID 163535086) is N-(3-nitrosophenyl)-3-oxobutanamide.
What is the SMILES notation for N-(3-nitrosophenyl)-3-oxobutanamide?
The canonical SMILES for N-(3-nitrosophenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1cccc(N=O)c1.
What is the InChIKey of N-(3-nitrosophenyl)-3-oxobutanamide?
The InChIKey is DWFYUHIHGOCFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(13)5-10(14)11-8-3-2-4-9(6-8)12-15/h2-4,6H,5H2,1H3,(H,11,14).
What are the key properties of N-(3-nitrosophenyl)-3-oxobutanamide?
N-(3-nitrosophenyl)-3-oxobutanamide has a molecular weight of 206.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrosophenyl)-3-oxobutanamide is sourced from PubChem (CID 163535086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).