6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide

C13H15NO2 — CID 67838432

IUPAC6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide
SMILESNC(=O)C12CCCCC1Oc1ccccc12
InChIInChI=1S/C13H15NO2/c14-12(15)13-8-4-3-7-11(13)16-10-6-2-1-5-9(10)13/h1-2,5-6,11H,3-4,7-8H2,(H2,14,15)
InChIKeyUKOANRMZJMFTDM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.74
Rot. Bonds1

About 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide

6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide (PubChem CID 67838432) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide
PubChem CID67838432
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide
SMILESNC(=O)C12CCCCC1Oc1ccccc12
InChIInChI=1S/C13H15NO2/c14-12(15)13-8-4-3-7-11(13)16-10-6-2-1-5-9(10)13/h1-2,5-6,11H,3-4,7-8H2,(H2,14,15)
InChIKeyUKOANRMZJMFTDM-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide?
The IUPAC name of 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide (CID 67838432) is 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide.
What is the SMILES notation for 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide?
The canonical SMILES for 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide is NC(=O)C12CCCCC1Oc1ccccc12.
What is the InChIKey of 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide?
The InChIKey is UKOANRMZJMFTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-12(15)13-8-4-3-7-11(13)16-10-6-2-1-5-9(10)13/h1-2,5-6,11H,3-4,7-8H2,(H2,14,15).
What are the key properties of 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide?
6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5aH-dibenzofuran-9a-carboxamide is sourced from PubChem (CID 67838432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).