2-phenyl-1-(4H-pyran-2-yl)ethenamine

C13H13NO — CID 67351179

IUPAC2-phenyl-1-(4H-pyran-2-yl)ethenamine
SMILESNC(=Cc1ccccc1)C1=CCC=CO1
InChIInChI=1S/C13H13NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-3,5-10H,4,14H2
InChIKeyYOFNHUFBRKNJAD-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.80
Rot. Bonds2

About 2-phenyl-1-(4H-pyran-2-yl)ethenamine

2-phenyl-1-(4H-pyran-2-yl)ethenamine (PubChem CID 67351179) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-phenyl-1-(4H-pyran-2-yl)ethenamine.

Molecular Properties

Compound Name2-phenyl-1-(4H-pyran-2-yl)ethenamine
PubChem CID67351179
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-phenyl-1-(4H-pyran-2-yl)ethenamine
SMILESNC(=Cc1ccccc1)C1=CCC=CO1
InChIInChI=1S/C13H13NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-3,5-10H,4,14H2
InChIKeyYOFNHUFBRKNJAD-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4H-pyran-2-yl)ethenamine?
The IUPAC name of 2-phenyl-1-(4H-pyran-2-yl)ethenamine (CID 67351179) is 2-phenyl-1-(4H-pyran-2-yl)ethenamine.
What is the SMILES notation for 2-phenyl-1-(4H-pyran-2-yl)ethenamine?
The canonical SMILES for 2-phenyl-1-(4H-pyran-2-yl)ethenamine is NC(=Cc1ccccc1)C1=CCC=CO1.
What is the InChIKey of 2-phenyl-1-(4H-pyran-2-yl)ethenamine?
The InChIKey is YOFNHUFBRKNJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-3,5-10H,4,14H2.
What are the key properties of 2-phenyl-1-(4H-pyran-2-yl)ethenamine?
2-phenyl-1-(4H-pyran-2-yl)ethenamine has a molecular weight of 199.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4H-pyran-2-yl)ethenamine is sourced from PubChem (CID 67351179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).