3-[(dimethylamino)methyl]oxan-4-one

C8H15NO2 — CID 15050158

IUPAC3-[(dimethylamino)methyl]oxan-4-one
SMILESCN(C)CC1COCCC1=O
InChIInChI=1S/C8H15NO2/c1-9(2)5-7-6-11-4-3-8(7)10/h7H,3-6H2,1-2H3
InChIKeyWORGLPABEQEWTL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.15
Rot. Bonds2

About 3-[(dimethylamino)methyl]oxan-4-one

3-[(dimethylamino)methyl]oxan-4-one (PubChem CID 15050158) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]oxan-4-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]oxan-4-one
PubChem CID15050158
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-[(dimethylamino)methyl]oxan-4-one
SMILESCN(C)CC1COCCC1=O
InChIInChI=1S/C8H15NO2/c1-9(2)5-7-6-11-4-3-8(7)10/h7H,3-6H2,1-2H3
InChIKeyWORGLPABEQEWTL-UHFFFAOYSA-N
XLogP0.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]oxan-4-one?
The IUPAC name of 3-[(dimethylamino)methyl]oxan-4-one (CID 15050158) is 3-[(dimethylamino)methyl]oxan-4-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]oxan-4-one?
The canonical SMILES for 3-[(dimethylamino)methyl]oxan-4-one is CN(C)CC1COCCC1=O.
What is the InChIKey of 3-[(dimethylamino)methyl]oxan-4-one?
The InChIKey is WORGLPABEQEWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9(2)5-7-6-11-4-3-8(7)10/h7H,3-6H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]oxan-4-one?
3-[(dimethylamino)methyl]oxan-4-one has a molecular weight of 157.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]oxan-4-one is sourced from PubChem (CID 15050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).