6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile

C17H9NO2 — CID 141282945

IUPAC6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile
SMILESN#Cc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3
InChIInChI=1S/C17H9NO2/c18-9-10-5-6-13-14-8-11-3-1-2-4-12(11)16(19)17(14)20-15(13)7-10/h1-7H,8H2
InChIKeyMVHFUXWCKIDWAA-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.44
Rot. Bonds

About 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile

6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile (PubChem CID 141282945) has the molecular formula C17H9NO2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile
PubChem CID141282945
Molecular FormulaC17H9NO2
Molecular Weight259.26 g/mol
Exact Mass259.06
IUPAC Name6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile
SMILESN#Cc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3
InChIInChI=1S/C17H9NO2/c18-9-10-5-6-13-14-8-11-3-1-2-4-12(11)16(19)17(14)20-15(13)7-10/h1-7H,8H2
InChIKeyMVHFUXWCKIDWAA-UHFFFAOYSA-N
XLogP3.44
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile?
The IUPAC name of 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile (CID 141282945) is 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile.
What is the SMILES notation for 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile?
The canonical SMILES for 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile is N#Cc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3.
What is the InChIKey of 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile?
The InChIKey is MVHFUXWCKIDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO2/c18-9-10-5-6-13-14-8-11-3-1-2-4-12(11)16(19)17(14)20-15(13)7-10/h1-7H,8H2.
What are the key properties of 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile?
6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile has a molecular weight of 259.26 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-11H-naphtho[2,3-b][1]benzofuran-3-carbonitrile is sourced from PubChem (CID 141282945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).