2-(2-phenylethenyl)-4H-pyran-3-amine

C13H13NO — CID 67351181

IUPAC2-(2-phenylethenyl)-4H-pyran-3-amine
SMILESNC1=C(C=Cc2ccccc2)OC=CC1
InChIInChI=1S/C13H13NO/c14-12-7-4-10-15-13(12)9-8-11-5-2-1-3-6-11/h1-6,8-10H,7,14H2
InChIKeyHVSQAAHEJHLHDX-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.80
Rot. Bonds2

About 2-(2-phenylethenyl)-4H-pyran-3-amine

2-(2-phenylethenyl)-4H-pyran-3-amine (PubChem CID 67351181) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-4H-pyran-3-amine.

Molecular Properties

Compound Name2-(2-phenylethenyl)-4H-pyran-3-amine
PubChem CID67351181
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(2-phenylethenyl)-4H-pyran-3-amine
SMILESNC1=C(C=Cc2ccccc2)OC=CC1
InChIInChI=1S/C13H13NO/c14-12-7-4-10-15-13(12)9-8-11-5-2-1-3-6-11/h1-6,8-10H,7,14H2
InChIKeyHVSQAAHEJHLHDX-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-(2-phenylethenyl)-4H-pyran-3-amine?
The IUPAC name of 2-(2-phenylethenyl)-4H-pyran-3-amine (CID 67351181) is 2-(2-phenylethenyl)-4H-pyran-3-amine.
What is the SMILES notation for 2-(2-phenylethenyl)-4H-pyran-3-amine?
The canonical SMILES for 2-(2-phenylethenyl)-4H-pyran-3-amine is NC1=C(C=Cc2ccccc2)OC=CC1.
What is the InChIKey of 2-(2-phenylethenyl)-4H-pyran-3-amine?
The InChIKey is HVSQAAHEJHLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-12-7-4-10-15-13(12)9-8-11-5-2-1-3-6-11/h1-6,8-10H,7,14H2.
What are the key properties of 2-(2-phenylethenyl)-4H-pyran-3-amine?
2-(2-phenylethenyl)-4H-pyran-3-amine 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-(2-phenylethenyl)-4H-pyran-3-amine is sourced from PubChem (CID 67351181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).