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

C9H15NO2 — CID 102648322

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-2-10-7-8(11)9-5-3-4-6-12-9/h5,10H,2-4,6-7H2,1H3
InChIKeyUBOMXRXKRYLFON-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone (PubChem CID 102648322) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
PubChem CID102648322
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-2-10-7-8(11)9-5-3-4-6-12-9/h5,10H,2-4,6-7H2,1H3
InChIKeyUBOMXRXKRYLFON-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 102648414
1-(4,5-Dihydrofuran-2-yl)-2-(methylamino)ethan-1-one
CID 84020687
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
CID 102646952
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
2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648308
1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone
CID 102648310
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone (CID 102648322) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone is CCNCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone?
The InChIKey is UBOMXRXKRYLFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-10-7-8(11)9-5-3-4-6-12-9/h5,10H,2-4,6-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.86, 4 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)-2-(ethylamino)ethanone is sourced from PubChem (CID 102648322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).