N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide

C12H11N3O6 — CID 43509702

IUPACN-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21)NCCO
InChIInChI=1S/C12H11N3O6/c16-4-3-13-10(17)6-14-9-2-1-7(15(20)21)5-8(9)11(18)12(14)19/h1-2,5,16H,3-4,6H2,(H,13,17)
InChIKeyWYGYMHCEQWEWOV-UHFFFAOYSA-N
MW293.24 g/mol
LogP-0.77
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide

N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide (PubChem CID 43509702) has the molecular formula C12H11N3O6 and a molecular weight of 293.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide
PubChem CID43509702
Molecular FormulaC12H11N3O6
Molecular Weight293.24 g/mol
Exact Mass293.06
IUPAC NameN-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21)NCCO
InChIInChI=1S/C12H11N3O6/c16-4-3-13-10(17)6-14-9-2-1-7(15(20)21)5-8(9)11(18)12(14)19/h1-2,5,16H,3-4,6H2,(H,13,17)
InChIKeyWYGYMHCEQWEWOV-UHFFFAOYSA-N
XLogP-0.77
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
1-[2-(4-methylphenyl)-2-oxoethyl]-5-nitroindole-2,3-dione
CID 102461701
N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]propanamide
CID 108542705
1-[2-(ethylaminomethyl)prop-2-enyl]-5-nitroindole-2,3-dione
CID 103071868
N-[2-(dimethylamino)ethyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 110839142
2-cyano-N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]acetamide
CID 108537343
5-nitro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387358
3-hydroxy-4-(5-nitro-2,3-dioxoindol-1-yl)butanoic acid
CID 82771259
2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
CID 3704400
methyl 2-bromo-3-(5-nitro-2,3-dioxoindol-1-yl)propanoate
CID 81091282
2-fluoro-N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]benzamide
CID 108538248
1-(3-methylbut-3-enyl)-5-nitroindole-2,3-dione
CID 114472761

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide (CID 43509702) is N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide is O=C(CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is WYGYMHCEQWEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6/c16-4-3-13-10(17)6-14-9-2-1-7(15(20)21)5-8(9)11(18)12(14)19/h1-2,5,16H,3-4,6H2,(H,13,17).
What are the key properties of N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide?
N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 293.24 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(5-nitro-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 43509702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).