N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide

C12H14N2O2 — CID 135520028

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N\NC(=O)C1CC1)c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-8(10-4-2-3-5-11(10)15)13-14-12(16)9-6-7-9/h2-5,9,15H,6-7H2,1H3,(H,14,16)/b13-8+
InChIKeyXZQCUPIUYYMWIB-MDWZMJQESA-N
MW218.26 g/mol
LogP1.64
Rot. Bonds3

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide (PubChem CID 135520028) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
PubChem CID135520028
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N\NC(=O)C1CC1)c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-8(10-4-2-3-5-11(10)15)13-14-12(16)9-6-7-9/h2-5,9,15H,6-7H2,1H3,(H,14,16)/b13-8+
InChIKeyXZQCUPIUYYMWIB-MDWZMJQESA-N
XLogP1.64
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.64
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide (CID 135520028) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide is C/C(=N\NC(=O)C1CC1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
The InChIKey is XZQCUPIUYYMWIB-MDWZMJQESA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(10-4-2-3-5-11(10)15)13-14-12(16)9-6-7-9/h2-5,9,15H,6-7H2,1H3,(H,14,16)/b13-8+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 135520028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).