2-amino-5-ethenyl-2,3-dihydropyran-6-one

C7H9NO2 — CID 163933050

IUPAC2-amino-5-ethenyl-2,3-dihydropyran-6-one
SMILESC=CC1=CCC(N)OC1=O
InChIInChI=1S/C7H9NO2/c1-2-5-3-4-6(8)10-7(5)9/h2-3,6H,1,4,8H2
InChIKeyRKIQFLAMJHBDJG-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.33
Rot. Bonds1

About 2-amino-5-ethenyl-2,3-dihydropyran-6-one

2-amino-5-ethenyl-2,3-dihydropyran-6-one (PubChem CID 163933050) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-amino-5-ethenyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-amino-5-ethenyl-2,3-dihydropyran-6-one
PubChem CID163933050
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-amino-5-ethenyl-2,3-dihydropyran-6-one
SMILESC=CC1=CCC(N)OC1=O
InChIInChI=1S/C7H9NO2/c1-2-5-3-4-6(8)10-7(5)9/h2-3,6H,1,4,8H2
InChIKeyRKIQFLAMJHBDJG-UHFFFAOYSA-N
XLogP0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethenyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-amino-5-ethenyl-2,3-dihydropyran-6-one (CID 163933050) is 2-amino-5-ethenyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-amino-5-ethenyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-amino-5-ethenyl-2,3-dihydropyran-6-one is C=CC1=CCC(N)OC1=O.
What is the InChIKey of 2-amino-5-ethenyl-2,3-dihydropyran-6-one?
The InChIKey is RKIQFLAMJHBDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-5-3-4-6(8)10-7(5)9/h2-3,6H,1,4,8H2.
What are the key properties of 2-amino-5-ethenyl-2,3-dihydropyran-6-one?
2-amino-5-ethenyl-2,3-dihydropyran-6-one has a molecular weight of 139.15 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethenyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 163933050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).