N-(9H-xanthen-9-yl)formamide

C14H11NO2 — CID 602540

IUPACN-(9H-xanthen-9-yl)formamide
SMILESO=CNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H11NO2/c16-9-15-14-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)14/h1-9,14H,(H,15,16)
InChIKeyGPXHRDQLQISAMT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About N-(9H-xanthen-9-yl)formamide

N-(9H-xanthen-9-yl)formamide (PubChem CID 602540) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(9H-xanthen-9-yl)formamide.

Molecular Properties

Compound NameN-(9H-xanthen-9-yl)formamide
PubChem CID602540
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC NameN-(9H-xanthen-9-yl)formamide
SMILESO=CNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H11NO2/c16-9-15-14-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)14/h1-9,14H,(H,15,16)
InChIKeyGPXHRDQLQISAMT-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9H-xanthen-9-yl)formamide?
The IUPAC name of N-(9H-xanthen-9-yl)formamide (CID 602540) is N-(9H-xanthen-9-yl)formamide.
What is the SMILES notation for N-(9H-xanthen-9-yl)formamide?
The canonical SMILES for N-(9H-xanthen-9-yl)formamide is O=CNC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(9H-xanthen-9-yl)formamide?
The InChIKey is GPXHRDQLQISAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-9-15-14-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)14/h1-9,14H,(H,15,16).
What are the key properties of N-(9H-xanthen-9-yl)formamide?
N-(9H-xanthen-9-yl)formamide has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-xanthen-9-yl)formamide is sourced from PubChem (CID 602540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).