N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide

C13H12N2O3 — CID 135417062

IUPACN-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)C1=C(O)CCC1=O
InChIInChI=1S/C13H12N2O3/c14-12(11-9(16)6-7-10(11)17)15-13(18)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,14,15,18)
InChIKeyDMFZMRRDQHGXOO-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.36
Rot. Bonds2

About N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide

N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide (PubChem CID 135417062) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide.

Molecular Properties

Compound NameN-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide
PubChem CID135417062
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)C1=C(O)CCC1=O
InChIInChI=1S/C13H12N2O3/c14-12(11-9(16)6-7-10(11)17)15-13(18)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,14,15,18)
InChIKeyDMFZMRRDQHGXOO-UHFFFAOYSA-N
XLogP1.36
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide?
The IUPAC name of N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide (CID 135417062) is N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide.
What is the SMILES notation for N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide?
The canonical SMILES for N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide is N/C(=N\C(=O)c1ccccc1)C1=C(O)CCC1=O.
What is the InChIKey of N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide?
The InChIKey is DMFZMRRDQHGXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-12(11-9(16)6-7-10(11)17)15-13(18)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,14,15,18).
What are the key properties of N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide?
N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide has a molecular weight of 244.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(2-hydroxy-5-oxocyclopenten-1-yl)methylidene]benzamide is sourced from PubChem (CID 135417062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).