8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile

C11H9NO3 — CID 15040471

IUPAC8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile
SMILESN#CC1=CC2C3=C(CCCC3=O)OC2O1
InChIInChI=1S/C11H9NO3/c12-5-6-4-7-10-8(13)2-1-3-9(10)15-11(7)14-6/h4,7,11H,1-3H2
InChIKeyNXCKWHMRNTXYFP-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.40
Rot. Bonds

About 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile

8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile (PubChem CID 15040471) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile.

Molecular Properties

Compound Name8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile
PubChem CID15040471
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile
SMILESN#CC1=CC2C3=C(CCCC3=O)OC2O1
InChIInChI=1S/C11H9NO3/c12-5-6-4-7-10-8(13)2-1-3-9(10)15-11(7)14-6/h4,7,11H,1-3H2
InChIKeyNXCKWHMRNTXYFP-UHFFFAOYSA-N
XLogP1.40
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile?
The IUPAC name of 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile (CID 15040471) is 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile.
What is the SMILES notation for 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile?
The canonical SMILES for 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile is N#CC1=CC2C3=C(CCCC3=O)OC2O1.
What is the InChIKey of 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile?
The InChIKey is NXCKWHMRNTXYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-5-6-4-7-10-8(13)2-1-3-9(10)15-11(7)14-6/h4,7,11H,1-3H2.
What are the key properties of 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile?
8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile is sourced from PubChem (CID 15040471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).