(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H16N2O2 — CID 135932849

IUPAC(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C15H16N2O2/c18-14-4-2-1-3-12(14)9-16-17-15(19)13-8-10-5-6-11(13)7-10/h1-6,9-11,13,18H,7-8H2,(H,17,19)/b16-9+/t10-,11+,13+/m1/s1
InChIKeyWSRJWDZKFHLGIP-VETDHQSRSA-N
MW256.31 g/mol
LogP2.05
Rot. Bonds3

About (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 135932849) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID135932849
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C15H16N2O2/c18-14-4-2-1-3-12(14)9-16-17-15(19)13-8-10-5-6-11(13)7-10/h1-6,9-11,13,18H,7-8H2,(H,17,19)/b16-9+/t10-,11+,13+/m1/s1
InChIKeyWSRJWDZKFHLGIP-VETDHQSRSA-N
XLogP2.05
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

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Related Compounds

(1S,2R,4S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135850503
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3388586
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide
CID 3489398
N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5150269
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
trans-(1R,2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135688132
(3R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136757946
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98066243

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 135932849) is (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(N/N=C/c1ccccc1O)[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is WSRJWDZKFHLGIP-VETDHQSRSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-4-2-1-3-12(14)9-16-17-15(19)13-8-10-5-6-11(13)7-10/h1-6,9-11,13,18H,7-8H2,(H,17,19)/b16-9+/t10-,11+,13+/m1/s1.
What are the key properties of (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 135932849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).