2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one

C15H11NO3 — CID 135411334

IUPAC2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/Cc2ccco2)=C(O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-14-11-5-1-2-6-12(11)15(18)13(14)9-16-8-10-4-3-7-19-10/h1-7,9,17H,8H2/b16-9+
InChIKeyZGBDCDFRIWVUIB-CXUHLZMHSA-N
MW253.26 g/mol
LogP3.02
Rot. Bonds3

About 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one

2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one (PubChem CID 135411334) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one
PubChem CID135411334
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/Cc2ccco2)=C(O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-14-11-5-1-2-6-12(11)15(18)13(14)9-16-8-10-4-3-7-19-10/h1-7,9,17H,8H2/b16-9+
InChIKeyZGBDCDFRIWVUIB-CXUHLZMHSA-N
XLogP3.02
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.02
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-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one (CID 135411334) is 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one is O=C1C(/C=N/Cc2ccco2)=C(O)c2ccccc21.
What is the InChIKey of 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one?
The InChIKey is ZGBDCDFRIWVUIB-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-11-5-1-2-6-12(11)15(18)13(14)9-16-8-10-4-3-7-19-10/h1-7,9,17H,8H2/b16-9+.
What are the key properties of 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one?
2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one has a molecular weight of 253.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135411334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).