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

C8H12N2O2 — CID 43260220

IUPAC5-amino-1-(3-hydroxypropyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCCO)c1
InChIInChI=1S/C8H12N2O2/c9-7-2-3-8(12)10(6-7)4-1-5-11/h2-3,6,11H,1,4-5,9H2
InChIKeyJVFRNLCCWOUILN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.19
Rot. Bonds3

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

5-amino-1-(3-hydroxypropyl)pyridin-2-one (PubChem CID 43260220) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-hydroxypropyl)pyridin-2-one
PubChem CID43260220
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-amino-1-(3-hydroxypropyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCCO)c1
InChIInChI=1S/C8H12N2O2/c9-7-2-3-8(12)10(6-7)4-1-5-11/h2-3,6,11H,1,4-5,9H2
InChIKeyJVFRNLCCWOUILN-UHFFFAOYSA-N
XLogP-0.19
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxypropyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(3-hydroxypropyl)pyridin-2-one (CID 43260220) is 5-amino-1-(3-hydroxypropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(3-hydroxypropyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(3-hydroxypropyl)pyridin-2-one is Nc1ccc(=O)n(CCCO)c1.
What is the InChIKey of 5-amino-1-(3-hydroxypropyl)pyridin-2-one?
The InChIKey is JVFRNLCCWOUILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7-2-3-8(12)10(6-7)4-1-5-11/h2-3,6,11H,1,4-5,9H2.
What are the key properties of 5-amino-1-(3-hydroxypropyl)pyridin-2-one?
5-amino-1-(3-hydroxypropyl)pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxypropyl)pyridin-2-one is sourced from PubChem (CID 43260220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).