4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde

C20H16N2O3 — CID 91057218

IUPAC4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde
SMILESCONC1=CCc2cc(-c3cc(C=O)oc3-c3ccncc3)ccc21
InChIInChI=1S/C20H16N2O3/c1-24-22-19-5-3-14-10-15(2-4-17(14)19)18-11-16(12-23)25-20(18)13-6-8-21-9-7-13/h2,4-12,22H,3H2,1H3
InChIKeyZERDICXOAYZXTJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.87
Rot. Bonds5

About 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde

4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde (PubChem CID 91057218) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde.

Molecular Properties

Compound Name4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde
PubChem CID91057218
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde
SMILESCONC1=CCc2cc(-c3cc(C=O)oc3-c3ccncc3)ccc21
InChIInChI=1S/C20H16N2O3/c1-24-22-19-5-3-14-10-15(2-4-17(14)19)18-11-16(12-23)25-20(18)13-6-8-21-9-7-13/h2,4-12,22H,3H2,1H3
InChIKeyZERDICXOAYZXTJ-UHFFFAOYSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde?
The IUPAC name of 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde (CID 91057218) is 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde.
What is the SMILES notation for 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde?
The canonical SMILES for 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde is CONC1=CCc2cc(-c3cc(C=O)oc3-c3ccncc3)ccc21.
What is the InChIKey of 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde?
The InChIKey is ZERDICXOAYZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-24-22-19-5-3-14-10-15(2-4-17(14)19)18-11-16(12-23)25-20(18)13-6-8-21-9-7-13/h2,4-12,22H,3H2,1H3.
What are the key properties of 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde?
4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde has a molecular weight of 332.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methoxyamino)-3H-inden-5-yl]-5-pyridin-4-ylfuran-2-carbaldehyde is sourced from PubChem (CID 91057218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).