3-amino-1-(oxan-3-yl)propan-1-one

C8H15NO2 — CID 82595976

IUPAC3-amino-1-(oxan-3-yl)propan-1-one
SMILESNCCC(=O)C1CCCOC1
InChIInChI=1S/C8H15NO2/c9-4-3-8(10)7-2-1-5-11-6-7/h7H,1-6,9H2
InChIKeyIESQTGZNJROYAU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.33
Rot. Bonds3

About 3-amino-1-(oxan-3-yl)propan-1-one

3-amino-1-(oxan-3-yl)propan-1-one (PubChem CID 82595976) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-1-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(oxan-3-yl)propan-1-one
PubChem CID82595976
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-1-(oxan-3-yl)propan-1-one
SMILESNCCC(=O)C1CCCOC1
InChIInChI=1S/C8H15NO2/c9-4-3-8(10)7-2-1-5-11-6-7/h7H,1-6,9H2
InChIKeyIESQTGZNJROYAU-UHFFFAOYSA-N
XLogP0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxan-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(oxan-3-yl)propan-1-one (CID 82595976) is 3-amino-1-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(oxan-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(oxan-3-yl)propan-1-one is NCCC(=O)C1CCCOC1.
What is the InChIKey of 3-amino-1-(oxan-3-yl)propan-1-one?
The InChIKey is IESQTGZNJROYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-4-3-8(10)7-2-1-5-11-6-7/h7H,1-6,9H2.
What are the key properties of 3-amino-1-(oxan-3-yl)propan-1-one?
3-amino-1-(oxan-3-yl)propan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 82595976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).