2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one

C11H19NO3 — CID 102648431

IUPAC2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO3/c1-14-7-4-5-9(12)11(13)10-6-2-3-8-15-10/h6,9H,2-5,7-8,12H2,1H3
InChIKeyCAGKZIKNBZIVBF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.00
Rot. Bonds6

About 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one (PubChem CID 102648431) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one
PubChem CID102648431
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO3/c1-14-7-4-5-9(12)11(13)10-6-2-3-8-15-10/h6,9H,2-5,7-8,12H2,1H3
InChIKeyCAGKZIKNBZIVBF-UHFFFAOYSA-N
XLogP1.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one (CID 102648431) is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one is COCCCC(N)C(=O)C1=CCCCO1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one?
The InChIKey is CAGKZIKNBZIVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-7-4-5-9(12)11(13)10-6-2-3-8-15-10/h6,9H,2-5,7-8,12H2,1H3.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one?
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one has a molecular weight of 213.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 102648431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).