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

C9H15NO2 — CID 102648288

IUPAC4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
SMILESNCCCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c10-6-3-4-8(11)9-5-1-2-7-12-9/h5H,1-4,6-7,10H2
InChIKeyGXUGEOAXIJETJM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.99
Rot. Bonds4

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

4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one (PubChem CID 102648288) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
PubChem CID102648288
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
SMILESNCCCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c10-6-3-4-8(11)9-5-1-2-7-12-9/h5H,1-4,6-7,10H2
InChIKeyGXUGEOAXIJETJM-UHFFFAOYSA-N
XLogP0.99
TPSA52.32 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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The IUPAC name of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one (CID 102648288) is 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one is NCCCC(=O)C1=CCCCO1.
What is the InChIKey of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The InChIKey is GXUGEOAXIJETJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-6-3-4-8(11)9-5-1-2-7-12-9/h5H,1-4,6-7,10H2.
What are the key properties of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one is sourced from PubChem (CID 102648288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).