(3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide

C9H10N4O4 — CID 56924766

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide
SMILESN/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\O
InChIInChI=1S/C9H10N4O4/c10-8(12-15)5-9(14)11-6-3-1-2-4-7(6)13(16)17/h1-4,15H,5H2,(H2,10,12)(H,11,14)
InChIKeyOODHVHYGBYCCLX-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.67
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide (PubChem CID 56924766) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide
PubChem CID56924766
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide
SMILESN/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\O
InChIInChI=1S/C9H10N4O4/c10-8(12-15)5-9(14)11-6-3-1-2-4-7(6)13(16)17/h1-4,15H,5H2,(H2,10,12)(H,11,14)
InChIKeyOODHVHYGBYCCLX-UHFFFAOYSA-N
XLogP0.67
TPSA130.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide (CID 56924766) is (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide is N/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide?
The InChIKey is OODHVHYGBYCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c10-8(12-15)5-9(14)11-6-3-1-2-4-7(6)13(16)17/h1-4,15H,5H2,(H2,10,12)(H,11,14).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide has a molecular weight of 238.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 56924766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).