N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H13N3O5 — CID 107681255

IUPACN-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O5/c16-9-4-1-3-8(15(19)20)12(9)13-10(17)7-14-6-2-5-11(14)18/h1,3-4,16H,2,5-7H2,(H,13,17)
InChIKeyNSBABXINSUIFET-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.86
Rot. Bonds4

About N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 107681255) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID107681255
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O5/c16-9-4-1-3-8(15(19)20)12(9)13-10(17)7-14-6-2-5-11(14)18/h1,3-4,16H,2,5-7H2,(H,13,17)
InChIKeyNSBABXINSUIFET-UHFFFAOYSA-N
XLogP0.86
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
N-(2-hydroxy-6-nitrophenyl)-2-(triazol-1-yl)acetamide
CID 107681208
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 107681255) is N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is NSBABXINSUIFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c16-9-4-1-3-8(15(19)20)12(9)13-10(17)7-14-6-2-5-11(14)18/h1,3-4,16H,2,5-7H2,(H,13,17).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 279.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 107681255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).