3-(2-aminoethoxy)-2-methylpyran-4-one

C8H11NO3 — CID 82503147

IUPAC3-(2-aminoethoxy)-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCCN
InChIInChI=1S/C8H11NO3/c1-6-8(12-5-3-9)7(10)2-4-11-6/h2,4H,3,5,9H2,1H3
InChIKeyRDPFRNIGLNWTFT-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.29
Rot. Bonds3

About 3-(2-aminoethoxy)-2-methylpyran-4-one

3-(2-aminoethoxy)-2-methylpyran-4-one (PubChem CID 82503147) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-2-methylpyran-4-one.

Molecular Properties

Compound Name3-(2-aminoethoxy)-2-methylpyran-4-one
PubChem CID82503147
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(2-aminoethoxy)-2-methylpyran-4-one
SMILESCc1occc(=O)c1OCCN
InChIInChI=1S/C8H11NO3/c1-6-8(12-5-3-9)7(10)2-4-11-6/h2,4H,3,5,9H2,1H3
InChIKeyRDPFRNIGLNWTFT-UHFFFAOYSA-N
XLogP0.29
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-2-methylpyran-4-one?
The IUPAC name of 3-(2-aminoethoxy)-2-methylpyran-4-one (CID 82503147) is 3-(2-aminoethoxy)-2-methylpyran-4-one.
What is the SMILES notation for 3-(2-aminoethoxy)-2-methylpyran-4-one?
The canonical SMILES for 3-(2-aminoethoxy)-2-methylpyran-4-one is Cc1occc(=O)c1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-2-methylpyran-4-one?
The InChIKey is RDPFRNIGLNWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-8(12-5-3-9)7(10)2-4-11-6/h2,4H,3,5,9H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-2-methylpyran-4-one?
3-(2-aminoethoxy)-2-methylpyran-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-2-methylpyran-4-one is sourced from PubChem (CID 82503147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).