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

C9H15NO3 — CID 102648422

IUPAC2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNCCOCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO3/c10-4-6-12-7-8(11)9-3-1-2-5-13-9/h3H,1-2,4-7,10H2
InChIKeySXELOBVWJJVBPB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.23
Rot. Bonds5

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

2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648422) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648422
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNCCOCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO3/c10-4-6-12-7-8(11)9-3-1-2-5-13-9/h3H,1-2,4-7,10H2
InChIKeySXELOBVWJJVBPB-UHFFFAOYSA-N
XLogP0.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.23
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

2-(Aminomethyl)-5-butoxypyran-4-one
CID 82064025
1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 129146436
1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 144746805
4-(2-Aminoethoxy)-2,5-dimethylfuran-3-one
CID 174760439
2-(Aminomethyl)-5-propoxy-4H-pyran-4-one
CID 42625908
2-(Aminomethyl)-5-ethoxypyran-4-one
CID 82063231
2-(Aminomethyl)-5-pentoxypyran-4-one
CID 82064026
3-(2-Aminoethoxy)-2-methylpyran-4-one
CID 82503147
2-Amino-1-(3,4-dihydro-2H-pyran-6-yl)ethan-1-one
CID 84020686
3-(3-Aminopropoxy)-2-methylpyran-4-one
CID 84658987
3-(2-Aminopropoxy)-2-methylpyran-4-one
CID 84658988
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648279

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648422) is 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is NCCOCC(=O)C1=CCCCO1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is SXELOBVWJJVBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c10-4-6-12-7-8(11)9-3-1-2-5-13-9/h3H,1-2,4-7,10H2.
What are the key properties of 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 185.22 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).