4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide

C13H14N2O2 — CID 6367995

IUPAC4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
SMILESCC1=C/C(=N\NC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C13H14N2O2/c1-9-2-5-11(8-9)14-15-13(17)10-3-6-12(16)7-4-10/h3-4,6-8,16H,2,5H2,1H3,(H,15,17)/b14-11-
InChIKeyBVPYAUTZGYARFQ-KAMYIIQDSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds2

About 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide

4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide (PubChem CID 6367995) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
PubChem CID6367995
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
SMILESCC1=C/C(=N\NC(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C13H14N2O2/c1-9-2-5-11(8-9)14-15-13(17)10-3-6-12(16)7-4-10/h3-4,6-8,16H,2,5H2,1H3,(H,15,17)/b14-11-
InChIKeyBVPYAUTZGYARFQ-KAMYIIQDSA-N
XLogP2.22
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide (CID 6367995) is 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide is CC1=C/C(=N\NC(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The InChIKey is BVPYAUTZGYARFQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-2-5-11(8-9)14-15-13(17)10-3-6-12(16)7-4-10/h3-4,6-8,16H,2,5H2,1H3,(H,15,17)/b14-11-.
What are the key properties of 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide has a molecular weight of 230.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide is sourced from PubChem (CID 6367995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).