4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one

C8H12N2O2 — CID 55282951

IUPAC4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one
SMILESCC(O)C(N)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-5(11)8(9)6-2-3-10-7(12)4-6/h2-5,8,11H,9H2,1H3,(H,10,12)
InChIKeyAANMJXHZQNWDOS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.24
Rot. Bonds2

About 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one

4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one (PubChem CID 55282951) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one
PubChem CID55282951
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one
SMILESCC(O)C(N)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-5(11)8(9)6-2-3-10-7(12)4-6/h2-5,8,11H,9H2,1H3,(H,10,12)
InChIKeyAANMJXHZQNWDOS-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one (CID 55282951) is 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one is CC(O)C(N)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one?
The InChIKey is AANMJXHZQNWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(11)8(9)6-2-3-10-7(12)4-6/h2-5,8,11H,9H2,1H3,(H,10,12).
What are the key properties of 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one?
4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 55282951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).