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

C11H19NO2 — CID 102648276

IUPAC6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
SMILESNCCCCCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c12-8-4-1-2-6-10(13)11-7-3-5-9-14-11/h7H,1-6,8-9,12H2
InChIKeyDIBQMGGSXAOTFC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds6

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

6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one (PubChem CID 102648276) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
PubChem CID102648276
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
SMILESNCCCCCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c12-8-4-1-2-6-10(13)11-7-3-5-9-14-11/h7H,1-6,8-9,12H2
InChIKeyDIBQMGGSXAOTFC-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one (CID 102648276) is 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one is NCCCCCC(=O)C1=CCCCO1.
What is the InChIKey of 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
The InChIKey is DIBQMGGSXAOTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-8-4-1-2-6-10(13)11-7-3-5-9-14-11/h7H,1-6,8-9,12H2.
What are the key properties of 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one?
6-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, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one is sourced from PubChem (CID 102648276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).