1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one

C11H19NO2 — CID 102648337

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-3-12-9(2)8-10(13)11-6-4-5-7-14-11/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeySNCPOEHQBQSUFB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one (PubChem CID 102648337) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
PubChem CID102648337
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-3-12-9(2)8-10(13)11-6-4-5-7-14-11/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeySNCPOEHQBQSUFB-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one
CID 102648296
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648297
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648298
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648304
1-(3,4-dihydro-2H-pyran-6-yl)-4-(propan-2-ylamino)butan-1-one
CID 102648305
3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648309
1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone
CID 102648316
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102648332
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)-3-(ethylamino)butan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one (CID 102648337) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one is CCNC(C)CC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one?
The InChIKey is SNCPOEHQBQSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-12-9(2)8-10(13)11-6-4-5-7-14-11/h6,9,12H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one is sourced from PubChem (CID 102648337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).