5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one

C9H14N2O2 — CID 55283264

IUPAC5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(C(N)C(C)O)c[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-5-3-7(4-11-9(5)13)8(10)6(2)12/h3-4,6,8,12H,10H2,1-2H3,(H,11,13)
InChIKeyYSQFVLPMYSBGLI-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.06
Rot. Bonds2

About 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one

5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one (PubChem CID 55283264) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one
PubChem CID55283264
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(C(N)C(C)O)c[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-5-3-7(4-11-9(5)13)8(10)6(2)12/h3-4,6,8,12H,10H2,1-2H3,(H,11,13)
InChIKeyYSQFVLPMYSBGLI-UHFFFAOYSA-N
XLogP0.06
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one (CID 55283264) is 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one is Cc1cc(C(N)C(C)O)c[nH]c1=O.
What is the InChIKey of 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is YSQFVLPMYSBGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-3-7(4-11-9(5)13)8(10)6(2)12/h3-4,6,8,12H,10H2,1-2H3,(H,11,13).
What are the key properties of 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one?
5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxypropyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 55283264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).