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

C11H19NO2 — CID 102648482

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
SMILESCCCC(N)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-2-5-9(12)8-10(13)11-6-3-4-7-14-11/h6,9H,2-5,7-8,12H2,1H3
InChIKeyYGHXVGBUPVGXHG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds5

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

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one (PubChem CID 102648482) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
PubChem CID102648482
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
SMILESCCCC(N)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-2-5-9(12)8-10(13)11-6-3-4-7-14-11/h6,9H,2-5,7-8,12H2,1H3
InChIKeyYGHXVGBUPVGXHG-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one (CID 102648482) is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one is CCCC(N)CC(=O)C1=CCCCO1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The InChIKey is YGHXVGBUPVGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-5-9(12)8-10(13)11-6-3-4-7-14-11/h6,9H,2-5,7-8,12H2,1H3.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one is sourced from PubChem (CID 102648482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).