2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide

C9H10N2O5 — CID 145093020

IUPAC2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide
SMILESO=C(CO)NCc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10N2O5/c12-5-8(13)10-4-6-2-1-3-7(9(6)14)11(15)16/h1-3,12,14H,4-5H2,(H,10,13)
InChIKeyUUHHYOOPPPAHNV-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.09
Rot. Bonds4

About 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide

2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide (PubChem CID 145093020) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide
PubChem CID145093020
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide
SMILESO=C(CO)NCc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10N2O5/c12-5-8(13)10-4-6-2-1-3-7(9(6)14)11(15)16/h1-3,12,14H,4-5H2,(H,10,13)
InChIKeyUUHHYOOPPPAHNV-UHFFFAOYSA-N
XLogP-0.09
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide (CID 145093020) is 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide is O=C(CO)NCc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide?
The InChIKey is UUHHYOOPPPAHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-5-8(13)10-4-6-2-1-3-7(9(6)14)11(15)16/h1-3,12,14H,4-5H2,(H,10,13).
What are the key properties of 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide?
2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide has a molecular weight of 226.19 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 145093020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).