10H-phenoxazine-3-carbonitrile

C13H8N2O — CID 56680014

IUPAC10H-phenoxazine-3-carbonitrile
SMILESN#Cc1ccc2c(c1)Oc1ccccc1N2
InChIInChI=1S/C13H8N2O/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7,15H
InChIKeyGVULGBMMUORKKO-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.41
Rot. Bonds

About 10H-phenoxazine-3-carbonitrile

10H-phenoxazine-3-carbonitrile (PubChem CID 56680014) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is 10H-phenoxazine-3-carbonitrile.

Molecular Properties

Compound Name10H-phenoxazine-3-carbonitrile
PubChem CID56680014
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Name10H-phenoxazine-3-carbonitrile
SMILESN#Cc1ccc2c(c1)Oc1ccccc1N2
InChIInChI=1S/C13H8N2O/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7,15H
InChIKeyGVULGBMMUORKKO-UHFFFAOYSA-N
XLogP3.41
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine-3-carbonitrile?
The IUPAC name of 10H-phenoxazine-3-carbonitrile (CID 56680014) is 10H-phenoxazine-3-carbonitrile.
What is the SMILES notation for 10H-phenoxazine-3-carbonitrile?
The canonical SMILES for 10H-phenoxazine-3-carbonitrile is N#Cc1ccc2c(c1)Oc1ccccc1N2.
What is the InChIKey of 10H-phenoxazine-3-carbonitrile?
The InChIKey is GVULGBMMUORKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7,15H.
What are the key properties of 10H-phenoxazine-3-carbonitrile?
10H-phenoxazine-3-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazine-3-carbonitrile is sourced from PubChem (CID 56680014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).