5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one

C10H17NO2 — CID 102648356

IUPAC5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
SMILESNCCCCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c11-7-3-1-5-9(12)10-6-2-4-8-13-10/h6H,1-5,7-8,11H2
InChIKeyCADAELUTYQRICZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds5

About 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one

5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one (PubChem CID 102648356) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
PubChem CID102648356
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
SMILESNCCCCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c11-7-3-1-5-9(12)10-6-2-4-8-13-10/h6H,1-5,7-8,11H2
InChIKeyCADAELUTYQRICZ-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 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 ≤ 51.38
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 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The IUPAC name of 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one (CID 102648356) is 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one.
What is the SMILES notation for 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The canonical SMILES for 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one is NCCCCC(=O)C1=CCCCO1.
What is the InChIKey of 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The InChIKey is CADAELUTYQRICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-7-3-1-5-9(12)10-6-2-4-8-13-10/h6H,1-5,7-8,11H2.
What are the key properties of 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one is sourced from PubChem (CID 102648356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).