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

C10H15NO2 — CID 102648418

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCCO1
InChIInChI=1S/C10H15NO2/c1-2-6-11-8-9(12)10-5-3-4-7-13-10/h2,5,11H,1,3-4,6-8H2
InChIKeyBLUXAQBUOQNSTJ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.03
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 102648418) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone
PubChem CID102648418
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCCO1
InChIInChI=1S/C10H15NO2/c1-2-6-11-8-9(12)10-5-3-4-7-13-10/h2,5,11H,1,3-4,6-8H2
InChIKeyBLUXAQBUOQNSTJ-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone (CID 102648418) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is BLUXAQBUOQNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-6-11-8-9(12)10-5-3-4-7-13-10/h2,5,11H,1,3-4,6-8H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 181.23 g/mol, XLogP of 1.03, 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)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 102648418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).