N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide

C13H16N2O2 — CID 135647875

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CCCC1
InChIInChI=1S/C13H16N2O2/c16-12-8-4-3-7-11(12)9-14-15-13(17)10-5-1-2-6-10/h3-4,7-10,16H,1-2,5-6H2,(H,15,17)/b14-9+
InChIKeyYQNPZCAGRKIAFG-NTEUORMPSA-N
MW232.28 g/mol
LogP2.03
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 135647875) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID135647875
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CCCC1
InChIInChI=1S/C13H16N2O2/c16-12-8-4-3-7-11(12)9-14-15-13(17)10-5-1-2-6-10/h3-4,7-10,16H,1-2,5-6H2,(H,15,17)/b14-9+
InChIKeyYQNPZCAGRKIAFG-NTEUORMPSA-N
XLogP2.03
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.03
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)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 135647875) is N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide is O=C(N/N=C/c1ccccc1O)C1CCCC1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is YQNPZCAGRKIAFG-NTEUORMPSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12-8-4-3-7-11(12)9-14-15-13(17)10-5-1-2-6-10/h3-4,7-10,16H,1-2,5-6H2,(H,15,17)/b14-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 135647875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).