3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one

C8H12N2O2 — CID 19770729

IUPAC3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
SMILESCCc1cc(N)c(=O)[nH]c1CO
InChIInChI=1S/C8H12N2O2/c1-2-5-3-6(9)8(12)10-7(5)4-11/h3,11H,2,4,9H2,1H3,(H,10,12)
InChIKeySZHKHOCJFGFDRE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.01
Rot. Bonds2

About 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one

3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 19770729) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID19770729
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
SMILESCCc1cc(N)c(=O)[nH]c1CO
InChIInChI=1S/C8H12N2O2/c1-2-5-3-6(9)8(12)10-7(5)4-11/h3,11H,2,4,9H2,1H3,(H,10,12)
InChIKeySZHKHOCJFGFDRE-UHFFFAOYSA-N
XLogP0.01
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one (CID 19770729) is 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one is CCc1cc(N)c(=O)[nH]c1CO.
What is the InChIKey of 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is SZHKHOCJFGFDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-5-3-6(9)8(12)10-7(5)4-11/h3,11H,2,4,9H2,1H3,(H,10,12).
What are the key properties of 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 19770729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).