N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H18N2O3 — CID 135521497

IUPACN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)C2CC3C=CC2C3)ccc1O
InChIInChI=1S/C16H18N2O3/c1-21-15-8-11(3-5-14(15)19)9-17-18-16(20)13-7-10-2-4-12(13)6-10/h2-5,8-10,12-13,19H,6-7H2,1H3,(H,18,20)/b17-9-
InChIKeyVZZDYLCOMMGWIN-MFOYZWKCSA-N
MW286.33 g/mol
LogP2.06
Rot. Bonds4

About N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 135521497) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID135521497
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)C2CC3C=CC2C3)ccc1O
InChIInChI=1S/C16H18N2O3/c1-21-15-8-11(3-5-14(15)19)9-17-18-16(20)13-7-10-2-4-12(13)6-10/h2-5,8-10,12-13,19H,6-7H2,1H3,(H,18,20)/b17-9-
InChIKeyVZZDYLCOMMGWIN-MFOYZWKCSA-N
XLogP2.06
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide with MolForge

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Related Compounds

Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
CID 9591898
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-3-(3,4-dihydroxyphenyl)propanehydrazide
CID 9625295
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]butanehydrazide
CID 135517042
N'-(3,4-dimethoxybenzylidene)-2-phenylcyclopropanecarbohydrazide
CID 9661142
4-Hydroxyhydrocinnamic acid piperonylidenehydrazide
CID 285495
N'-(3-hydroxy-4-methoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 5904739
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614
3-(3,4-dihydroxyphenyl)-N'-(2,5-dimethoxybenzylidene)propanohydrazide
CID 9563544
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 9590146

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 135521497) is N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide is COc1cc(/C=N\NC(=O)C2CC3C=CC2C3)ccc1O.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is VZZDYLCOMMGWIN-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-15-8-11(3-5-14(15)19)9-17-18-16(20)13-7-10-2-4-12(13)6-10/h2-5,8-10,12-13,19H,6-7H2,1H3,(H,18,20)/b17-9-.
What are the key properties of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 135521497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).