N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide

C12H9N3O5 — CID 135643037

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccco1
InChIInChI=1S/C12H9N3O5/c16-10-4-3-9(15(18)19)6-8(10)7-13-14-12(17)11-2-1-5-20-11/h1-7,16H,(H,14,17)/b13-7+
InChIKeyOBHSMTCACKBFDC-NTUHNPAUSA-N
MW275.22 g/mol
LogP1.66
Rot. Bonds4

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 135643037) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide
PubChem CID135643037
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccco1
InChIInChI=1S/C12H9N3O5/c16-10-4-3-9(15(18)19)6-8(10)7-13-14-12(17)11-2-1-5-20-11/h1-7,16H,(H,14,17)/b13-7+
InChIKeyOBHSMTCACKBFDC-NTUHNPAUSA-N
XLogP1.66
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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'-[(1E,2Z)-3-(2-Nitrophenyl)prop-2-EN-1-ylidene]furan-2-carbohydrazide
CID 6879946
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 135688419
N'-[(E)-(2-hydroxyphenyl)methylidene]furan-2-carbohydrazide
CID 135479643
Benzoic acid, 3-nitro-, (2-furanylmethylene)hydrazide
CID 6870802
2-(2-methylphenoxy)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]acetohydrazide
CID 6878016
N-[(E)-(3-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6888132
2-{4-ethyl-2-nitrophenoxy}-N'-(2-furylmethylene)acetohydrazide
CID 5401094
2-(4-Methyl-2-nitrophenoxy)-N'-[(Z)-(5-methylfuran-2-YL)methylidene]acetohydrazide
CID 6286305
N'-(2-Furylmethylene)-2-(4-nitrophenoxy)acetohydrazide
CID 9616267
(Z)-N'-(1-(4-nitrophenyl)ethylidene)furan-2-carbohydrazide
CID 5401952
N-[(E)-(4-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 6861570
N-[(E)-benzylideneamino]-5-nitro-furan-2-carboxamide
CID 49862605

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide (CID 135643037) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccco1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is OBHSMTCACKBFDC-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-10-4-3-9(15(18)19)6-8(10)7-13-14-12(17)11-2-1-5-20-11/h1-7,16H,(H,14,17)/b13-7+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 275.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135643037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).