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

C9H13NO3 — CID 112712413

IUPAC2-(2-aminopropyl)-3-methoxypyran-4-one
SMILESCOc1c(CC(C)N)occc1=O
InChIInChI=1S/C9H13NO3/c1-6(10)5-8-9(12-2)7(11)3-4-13-8/h3-4,6H,5,10H2,1-2H3
InChIKeyVBDANWHHNBLIDZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds3

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

2-(2-aminopropyl)-3-methoxypyran-4-one (PubChem CID 112712413) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-methoxypyran-4-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-methoxypyran-4-one
PubChem CID112712413
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(2-aminopropyl)-3-methoxypyran-4-one
SMILESCOc1c(CC(C)N)occc1=O
InChIInChI=1S/C9H13NO3/c1-6(10)5-8-9(12-2)7(11)3-4-13-8/h3-4,6H,5,10H2,1-2H3
InChIKeyVBDANWHHNBLIDZ-UHFFFAOYSA-N
XLogP0.54
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 129146436
1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 144746805
3-(2-Aminoethoxy)-2-methylpyran-4-one
CID 82503147
2-Amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 84020688
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
3-(3-Aminopropoxy)-2-methylpyran-4-one
CID 84658987
3-(2-Aminopropoxy)-2-methylpyran-4-one
CID 84658988
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648398
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one
CID 102648479
2-Amino-1-(4,5-dihydrofuran-2-yl)butan-1-one
CID 102652522
2-(2-Aminoethyl)-3-methoxypyran-4-one
CID 112712058
2-(2-Aminopropyl)-3-hydroxypyran-4-one
CID 112712061

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-methoxypyran-4-one?
The IUPAC name of 2-(2-aminopropyl)-3-methoxypyran-4-one (CID 112712413) is 2-(2-aminopropyl)-3-methoxypyran-4-one.
What is the SMILES notation for 2-(2-aminopropyl)-3-methoxypyran-4-one?
The canonical SMILES for 2-(2-aminopropyl)-3-methoxypyran-4-one is COc1c(CC(C)N)occc1=O.
What is the InChIKey of 2-(2-aminopropyl)-3-methoxypyran-4-one?
The InChIKey is VBDANWHHNBLIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(10)5-8-9(12-2)7(11)3-4-13-8/h3-4,6H,5,10H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-3-methoxypyran-4-one?
2-(2-aminopropyl)-3-methoxypyran-4-one has a molecular weight of 183.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-3-methoxypyran-4-one is sourced from PubChem (CID 112712413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).