1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone

C8H13NO2 — CID 144746805

IUPAC1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCC(=O)C1=CC(C)C(N)CO1
InChIInChI=1S/C8H13NO2/c1-5-3-8(6(2)10)11-4-7(5)9/h3,5,7H,4,9H2,1-2H3
InChIKeyPOIFHOJGFVXION-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds1

About 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone

1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 144746805) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID144746805
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCC(=O)C1=CC(C)C(N)CO1
InChIInChI=1S/C8H13NO2/c1-5-3-8(6(2)10)11-4-7(5)9/h3,5,7H,4,9H2,1-2H3
InChIKeyPOIFHOJGFVXION-UHFFFAOYSA-N
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde
CID 88571405
1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 129146436
(E)-3-(2-aminopropoxy)hex-3-en-2-one
CID 169847945
2-(Aminomethyl)-5-(3-methylbutoxy)pyran-4-one
CID 82064030
2-(Aminomethyl)-5-(2-methylpropoxy)pyran-4-one
CID 82064031
3-(2-Aminoethoxy)-2-methylpyran-4-one
CID 82503147
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
3-(2-Aminopropoxy)-2-methylpyran-4-one
CID 84658988
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648329
2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648422
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one
CID 102648432
2-(2-Aminopropyl)-3-methoxypyran-4-one
CID 112712413

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone (CID 144746805) is 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone is CC(=O)C1=CC(C)C(N)CO1.
What is the InChIKey of 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is POIFHOJGFVXION-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-3-8(6(2)10)11-4-7(5)9/h3,5,7H,4,9H2,1-2H3.
What are the key properties of 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone?
1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 155.20 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 144746805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).