1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone

C15H15N3O — CID 175747842

IUPAC1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(=NN)c2ccccc2)c1N
InChIInChI=1S/C15H15N3O/c1-10(19)12-8-5-9-13(14(12)16)15(18-17)11-6-3-2-4-7-11/h2-9H,16-17H2,1H3
InChIKeyPJCNOMQWXPUKAR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.18
Rot. Bonds3

About 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone

1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone (PubChem CID 175747842) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone
PubChem CID175747842
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(=NN)c2ccccc2)c1N
InChIInChI=1S/C15H15N3O/c1-10(19)12-8-5-9-13(14(12)16)15(18-17)11-6-3-2-4-7-11/h2-9H,16-17H2,1H3
InChIKeyPJCNOMQWXPUKAR-UHFFFAOYSA-N
XLogP2.18
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone (CID 175747842) is 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone is CC(=O)c1cccc(C(=NN)c2ccccc2)c1N.
What is the InChIKey of 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone?
The InChIKey is PJCNOMQWXPUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(19)12-8-5-9-13(14(12)16)15(18-17)11-6-3-2-4-7-11/h2-9H,16-17H2,1H3.
What are the key properties of 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone?
1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone has a molecular weight of 253.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(C-phenylcarbonohydrazonoyl)phenyl]ethanone is sourced from PubChem (CID 175747842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).