5-methoxy-2H-pyran-3-amine

C6H9NO2 — CID 67300901

IUPAC5-methoxy-2H-pyran-3-amine
SMILESCOC1=COCC(N)=C1
InChIInChI=1S/C6H9NO2/c1-8-6-2-5(7)3-9-4-6/h2,4H,3,7H2,1H3
InChIKeyGPJABBHJMCPSKD-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.35
Rot. Bonds1

About 5-methoxy-2H-pyran-3-amine

5-methoxy-2H-pyran-3-amine (PubChem CID 67300901) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-methoxy-2H-pyran-3-amine.

Molecular Properties

Compound Name5-methoxy-2H-pyran-3-amine
PubChem CID67300901
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-methoxy-2H-pyran-3-amine
SMILESCOC1=COCC(N)=C1
InChIInChI=1S/C6H9NO2/c1-8-6-2-5(7)3-9-4-6/h2,4H,3,7H2,1H3
InChIKeyGPJABBHJMCPSKD-UHFFFAOYSA-N
XLogP0.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2H-pyran-3-amine?
The IUPAC name of 5-methoxy-2H-pyran-3-amine (CID 67300901) is 5-methoxy-2H-pyran-3-amine.
What is the SMILES notation for 5-methoxy-2H-pyran-3-amine?
The canonical SMILES for 5-methoxy-2H-pyran-3-amine is COC1=COCC(N)=C1.
What is the InChIKey of 5-methoxy-2H-pyran-3-amine?
The InChIKey is GPJABBHJMCPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-8-6-2-5(7)3-9-4-6/h2,4H,3,7H2,1H3.
What are the key properties of 5-methoxy-2H-pyran-3-amine?
5-methoxy-2H-pyran-3-amine has a molecular weight of 127.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2H-pyran-3-amine is sourced from PubChem (CID 67300901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).