1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one

C11H18N2O2 — CID 82896586

IUPAC1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one
SMILESCC(C)(CN)OCCn1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-11(2,9-12)15-8-7-13-6-4-3-5-10(13)14/h3-6H,7-9,12H2,1-2H3
InChIKeyZKMUAWHWNAELFC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.60
Rot. Bonds5

About 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one

1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one (PubChem CID 82896586) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one
PubChem CID82896586
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one
SMILESCC(C)(CN)OCCn1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-11(2,9-12)15-8-7-13-6-4-3-5-10(13)14/h3-6H,7-9,12H2,1-2H3
InChIKeyZKMUAWHWNAELFC-UHFFFAOYSA-N
XLogP0.60
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one?
The IUPAC name of 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one (CID 82896586) is 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one is CC(C)(CN)OCCn1ccccc1=O.
What is the InChIKey of 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one?
The InChIKey is ZKMUAWHWNAELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,9-12)15-8-7-13-6-4-3-5-10(13)14/h3-6H,7-9,12H2,1-2H3.
What are the key properties of 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one?
1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-amino-2-methylpropan-2-yl)oxyethyl]pyridin-2-one is sourced from PubChem (CID 82896586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).