N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C17H22N2O2 — CID 135537484

IUPACN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC/C(=N/NC(=O)C1C2CCCCC21)c1ccc(O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-15(11-7-9-12(20)10-8-11)18-19-17(21)16-13-5-3-4-6-14(13)16/h7-10,13-14,16,20H,2-6H2,1H3,(H,19,21)/b18-15-
InChIKeyBZWAQTKHDZAZRU-SDXDJHTJSA-N
MW286.37 g/mol
LogP3.06
Rot. Bonds4

About N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 135537484) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID135537484
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC/C(=N/NC(=O)C1C2CCCCC21)c1ccc(O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-15(11-7-9-12(20)10-8-11)18-19-17(21)16-13-5-3-4-6-14(13)16/h7-10,13-14,16,20H,2-6H2,1H3,(H,19,21)/b18-15-
InChIKeyBZWAQTKHDZAZRU-SDXDJHTJSA-N
XLogP3.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 135537484) is N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is CC/C(=N/NC(=O)C1C2CCCCC21)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is BZWAQTKHDZAZRU-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-15(11-7-9-12(20)10-8-11)18-19-17(21)16-13-5-3-4-6-14(13)16/h7-10,13-14,16,20H,2-6H2,1H3,(H,19,21)/b18-15-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 135537484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).