9H-xanthene-9-carboxamide

C14H11NO2 — CID 725576

IUPAC9H-xanthene-9-carboxamide
SMILESNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H11NO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H2,15,16)
InChIKeyWEDLKOCAEPRSPJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.41
Rot. Bonds1

About 9H-xanthene-9-carboxamide

9H-xanthene-9-carboxamide (PubChem CID 725576) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 9H-xanthene-9-carboxamide.

Molecular Properties

Compound Name9H-xanthene-9-carboxamide
PubChem CID725576
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name9H-xanthene-9-carboxamide
SMILESNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H11NO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H2,15,16)
InChIKeyWEDLKOCAEPRSPJ-UHFFFAOYSA-N
XLogP2.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthene-9-carboxamide?
The IUPAC name of 9H-xanthene-9-carboxamide (CID 725576) is 9H-xanthene-9-carboxamide.
What is the SMILES notation for 9H-xanthene-9-carboxamide?
The canonical SMILES for 9H-xanthene-9-carboxamide is NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9H-xanthene-9-carboxamide?
The InChIKey is WEDLKOCAEPRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H2,15,16).
What are the key properties of 9H-xanthene-9-carboxamide?
9H-xanthene-9-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthene-9-carboxamide is sourced from PubChem (CID 725576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).