2-phenoxazin-3-ylidenepropanedinitrile

C15H7N3O — CID 13413067

IUPAC2-phenoxazin-3-ylidenepropanedinitrile
SMILESN#CC(C#N)=c1ccc2c(c1)Oc1ccccc1N=2
InChIInChI=1S/C15H7N3O/c16-8-11(9-17)10-5-6-13-15(7-10)19-14-4-2-1-3-12(14)18-13/h1-7H
InChIKeySOBZQFXJJLNGSH-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.94
Rot. Bonds

About 2-phenoxazin-3-ylidenepropanedinitrile

2-phenoxazin-3-ylidenepropanedinitrile (PubChem CID 13413067) has the molecular formula C15H7N3O and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-phenoxazin-3-ylidenepropanedinitrile.

Molecular Properties

Compound Name2-phenoxazin-3-ylidenepropanedinitrile
PubChem CID13413067
Molecular FormulaC15H7N3O
Molecular Weight245.24 g/mol
Exact Mass245.06
IUPAC Name2-phenoxazin-3-ylidenepropanedinitrile
SMILESN#CC(C#N)=c1ccc2c(c1)Oc1ccccc1N=2
InChIInChI=1S/C15H7N3O/c16-8-11(9-17)10-5-6-13-15(7-10)19-14-4-2-1-3-12(14)18-13/h1-7H
InChIKeySOBZQFXJJLNGSH-UHFFFAOYSA-N
XLogP1.94
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxazin-3-ylidenepropanedinitrile?
The IUPAC name of 2-phenoxazin-3-ylidenepropanedinitrile (CID 13413067) is 2-phenoxazin-3-ylidenepropanedinitrile.
What is the SMILES notation for 2-phenoxazin-3-ylidenepropanedinitrile?
The canonical SMILES for 2-phenoxazin-3-ylidenepropanedinitrile is N#CC(C#N)=c1ccc2c(c1)Oc1ccccc1N=2.
What is the InChIKey of 2-phenoxazin-3-ylidenepropanedinitrile?
The InChIKey is SOBZQFXJJLNGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N3O/c16-8-11(9-17)10-5-6-13-15(7-10)19-14-4-2-1-3-12(14)18-13/h1-7H.
What are the key properties of 2-phenoxazin-3-ylidenepropanedinitrile?
2-phenoxazin-3-ylidenepropanedinitrile has a molecular weight of 245.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxazin-3-ylidenepropanedinitrile is sourced from PubChem (CID 13413067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).