trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

C17H16N2O2 — CID 135726083

IUPACtrans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-14-8-6-12(7-9-14)11-18-19-17(21)16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16,20H,10H2,(H,19,21)/b18-11+/t15-,16+/m0/s1
InChIKeySXRNNKHOSHIGKX-CHOUFLSKSA-N
MW280.33 g/mol
LogP2.65
Rot. Bonds4

About trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 135726083) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID135726083
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nametrans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-14-8-6-12(7-9-14)11-18-19-17(21)16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16,20H,10H2,(H,19,21)/b18-11+/t15-,16+/m0/s1
InChIKeySXRNNKHOSHIGKX-CHOUFLSKSA-N
XLogP2.65
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.65
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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Related Compounds

Gsk 4716
CID 5331325
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
2-hydroxy-N-[(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 267472
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135603353
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
Benzilic acid N-(2-hydroxybenzylidene)hydrazide
CID 135509615
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
Benzylidenehydrazine derivative, 8
CID 42618294
trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73349388
2-(4-fluorophenyl)-N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]acetohydrazide
CID 135472799

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 135726083) is trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is O=C(N/N=C/c1ccc(O)cc1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SXRNNKHOSHIGKX-CHOUFLSKSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-14-8-6-12(7-9-14)11-18-19-17(21)16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16,20H,10H2,(H,19,21)/b18-11+/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135726083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).