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

C8H13NO2 — CID 102648279

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESNCCC(=O)C1=CCCCO1
InChIInChI=1S/C8H13NO2/c9-5-4-7(10)8-3-1-2-6-11-8/h3H,1-2,4-6,9H2
InChIKeyPXWBMBVTPDEWIV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.60
Rot. Bonds3

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

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (PubChem CID 102648279) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
PubChem CID102648279
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESNCCC(=O)C1=CCCCO1
InChIInChI=1S/C8H13NO2/c9-5-4-7(10)8-3-1-2-6-11-8/h3H,1-2,4-6,9H2
InChIKeyPXWBMBVTPDEWIV-UHFFFAOYSA-N
XLogP0.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (CID 102648279) is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is NCCC(=O)C1=CCCCO1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The InChIKey is PXWBMBVTPDEWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-5-4-7(10)8-3-1-2-6-11-8/h3H,1-2,4-6,9H2.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is sourced from PubChem (CID 102648279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).