2-(2-aminoethyl)-3-methoxypyran-4-one

C8H11NO3 — CID 112712058

IUPAC2-(2-aminoethyl)-3-methoxypyran-4-one
SMILESCOc1c(CCN)occc1=O
InChIInChI=1S/C8H11NO3/c1-11-8-6(10)3-5-12-7(8)2-4-9/h3,5H,2,4,9H2,1H3
InChIKeyNBNRXQFTXQGOGQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.15
Rot. Bonds3

About 2-(2-aminoethyl)-3-methoxypyran-4-one

2-(2-aminoethyl)-3-methoxypyran-4-one (PubChem CID 112712058) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-methoxypyran-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-methoxypyran-4-one
PubChem CID112712058
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(2-aminoethyl)-3-methoxypyran-4-one
SMILESCOc1c(CCN)occc1=O
InChIInChI=1S/C8H11NO3/c1-11-8-6(10)3-5-12-7(8)2-4-9/h3,5H,2,4,9H2,1H3
InChIKeyNBNRXQFTXQGOGQ-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Aminoethyl)-5-hydroxypyran-4-one
CID 54181382
2-Aminomethyl-5-methoxy-pyran-4-one
CID 5079829
2-(Aminomethyl)-5-propoxy-4H-pyran-4-one
CID 42625908
2-(Aminomethyl)-5-ethoxypyran-4-one
CID 82063231
3-(2-Aminoethoxy)-2-methylpyran-4-one
CID 82503147
2-Amino-1-(4,5-dihydrofuran-2-yl)ethan-1-one
CID 84020560
3-(3-Aminopropoxy)pyran-4-one
CID 84653359
3-(3-Aminopropoxy)-2-methylpyran-4-one
CID 84658987
3-(2-Aminopropoxy)-2-methylpyran-4-one
CID 84658988
2-(2-Aminoethyl)-3-hydroxypyran-4-one
CID 112711902
3-Hydroxy-2-[2-(methylamino)ethyl]pyran-4-one
CID 112712060
2-(2-Aminopropyl)-3-hydroxypyran-4-one
CID 112712061

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-methoxypyran-4-one?
The IUPAC name of 2-(2-aminoethyl)-3-methoxypyran-4-one (CID 112712058) is 2-(2-aminoethyl)-3-methoxypyran-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-3-methoxypyran-4-one?
The canonical SMILES for 2-(2-aminoethyl)-3-methoxypyran-4-one is COc1c(CCN)occc1=O.
What is the InChIKey of 2-(2-aminoethyl)-3-methoxypyran-4-one?
The InChIKey is NBNRXQFTXQGOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-11-8-6(10)3-5-12-7(8)2-4-9/h3,5H,2,4,9H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-methoxypyran-4-one?
2-(2-aminoethyl)-3-methoxypyran-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-methoxypyran-4-one is sourced from PubChem (CID 112712058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).