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

C10H17NO3 — CID 102648424

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO3/c1-13-7-5-11-8-9(12)10-4-2-3-6-14-10/h4,11H,2-3,5-8H2,1H3
InChIKeyIOFKHRZUXSJEPL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.49
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 102648424) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID102648424
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO3/c1-13-7-5-11-8-9(12)10-4-2-3-6-14-10/h4,11H,2-3,5-8H2,1H3
InChIKeyIOFKHRZUXSJEPL-UHFFFAOYSA-N
XLogP0.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.49
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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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 102648414
(3E)-1-[2-(2-oxobutoxy)ethylamino]hexa-3,5-dien-2-one
CID 123540232
(E)-1-[2-(2-oxobutoxy)ethylamino]hex-3-en-2-one
CID 123997976
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648294
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648298
2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648303
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one
CID 102648331
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone (CID 102648424) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is IOFKHRZUXSJEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-7-5-11-8-9(12)10-4-2-3-6-14-10/h4,11H,2-3,5-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 199.25 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 102648424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).