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

C5H7NO2 — CID 57255938

IUPAC5-amino-2,5-dihydropyran-6-one
SMILESNC1C=CCOC1=O
InChIInChI=1S/C5H7NO2/c6-4-2-1-3-8-5(4)7/h1-2,4H,3,6H2
InChIKeyAUXDCVDCKOREEJ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.57
Rot. Bonds

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

5-amino-2,5-dihydropyran-6-one (PubChem CID 57255938) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-amino-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name5-amino-2,5-dihydropyran-6-one
PubChem CID57255938
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name5-amino-2,5-dihydropyran-6-one
SMILESNC1C=CCOC1=O
InChIInChI=1S/C5H7NO2/c6-4-2-1-3-8-5(4)7/h1-2,4H,3,6H2
InChIKeyAUXDCVDCKOREEJ-UHFFFAOYSA-N
XLogP-0.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,5-dihydropyran-6-one?
The IUPAC name of 5-amino-2,5-dihydropyran-6-one (CID 57255938) is 5-amino-2,5-dihydropyran-6-one.
What is the SMILES notation for 5-amino-2,5-dihydropyran-6-one?
The canonical SMILES for 5-amino-2,5-dihydropyran-6-one is NC1C=CCOC1=O.
What is the InChIKey of 5-amino-2,5-dihydropyran-6-one?
The InChIKey is AUXDCVDCKOREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c6-4-2-1-3-8-5(4)7/h1-2,4H,3,6H2.
What are the key properties of 5-amino-2,5-dihydropyran-6-one?
5-amino-2,5-dihydropyran-6-one has a molecular weight of 113.12 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,5-dihydropyran-6-one is sourced from PubChem (CID 57255938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).