1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone

C10H17NO2 — CID 116562949

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)C1=COCCC1
InChIInChI=1S/C10H17NO2/c1-2-5-11-7-10(12)9-4-3-6-13-8-9/h8,11H,2-7H2,1H3
InChIKeyPRBQVYCYUMWFIF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone

1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone (PubChem CID 116562949) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone
PubChem CID116562949
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)C1=COCCC1
InChIInChI=1S/C10H17NO2/c1-2-5-11-7-10(12)9-4-3-6-13-8-9/h8,11H,2-7H2,1H3
InChIKeyPRBQVYCYUMWFIF-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
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 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone (CID 116562949) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone is CCCNCC(=O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone?
The InChIKey is PRBQVYCYUMWFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-5-11-7-10(12)9-4-3-6-13-8-9/h8,11H,2-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.25, 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-5-yl)-2-(propylamino)ethanone is sourced from PubChem (CID 116562949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).