N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H14N2O4 — CID 103602356

IUPACN-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C1CC2C=CC1C2
InChIInChI=1S/C14H14N2O4/c17-13-4-3-10(16(19)20)7-12(13)15-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11,17H,5-6H2,(H,15,18)
InChIKeyISWFNCULXQFGQA-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.45
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 103602356) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID103602356
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C1CC2C=CC1C2
InChIInChI=1S/C14H14N2O4/c17-13-4-3-10(16(19)20)7-12(13)15-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11,17H,5-6H2,(H,15,18)
InChIKeyISWFNCULXQFGQA-UHFFFAOYSA-N
XLogP2.45
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595
(1R,2S,4S)-N-(3-nitrophenyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide
CID 98514187
(1R,2R,4S)-N-(3-nitrophenyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide
CID 98514185
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103894405
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
(4-nitrophenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 86066030

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 103602356) is N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CC2C=CC1C2.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is ISWFNCULXQFGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13-4-3-10(16(19)20)7-12(13)15-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11,17H,5-6H2,(H,15,18).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 103602356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).