2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

C19H15NO3 — CID 135470599

IUPAC2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESCC(=O)c1cccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H15NO3/c1-11(20-14-7-5-6-13(10-14)12(2)21)17-18(22)15-8-3-4-9-16(15)19(17)23/h3-10,22H,1-2H3/b20-11+
InChIKeyOWANUSVFZHZSEM-RGVLZGJSSA-N
MW305.33 g/mol
LogP4.15
Rot. Bonds3

About 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (PubChem CID 135470599) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
PubChem CID135470599
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESCC(=O)c1cccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H15NO3/c1-11(20-14-7-5-6-13(10-14)12(2)21)17-18(22)15-8-3-4-9-16(15)19(17)23/h3-10,22H,1-2H3/b20-11+
InChIKeyOWANUSVFZHZSEM-RGVLZGJSSA-N
XLogP4.15
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (CID 135470599) is 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is CC(=O)c1cccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The InChIKey is OWANUSVFZHZSEM-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15NO3/c1-11(20-14-7-5-6-13(10-14)12(2)21)17-18(22)15-8-3-4-9-16(15)19(17)23/h3-10,22H,1-2H3/b20-11+.
What are the key properties of 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one has a molecular weight of 305.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135470599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).