3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one

C10H16N2O2 — CID 141339787

IUPAC3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CCCNCCO
InChIInChI=1S/C10H16N2O2/c13-8-7-11-5-1-3-9-4-2-6-12-10(9)14/h2,4,6,11,13H,1,3,5,7-8H2,(H,12,14)
InChIKeyPYGXWNYHLWNLCY-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.11
Rot. Bonds6

About 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one

3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one (PubChem CID 141339787) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one
PubChem CID141339787
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CCCNCCO
InChIInChI=1S/C10H16N2O2/c13-8-7-11-5-1-3-9-4-2-6-12-10(9)14/h2,4,6,11,13H,1,3,5,7-8H2,(H,12,14)
InChIKeyPYGXWNYHLWNLCY-UHFFFAOYSA-N
XLogP-0.11
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one (CID 141339787) is 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one is O=c1[nH]cccc1CCCNCCO.
What is the InChIKey of 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one?
The InChIKey is PYGXWNYHLWNLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-8-7-11-5-1-3-9-4-2-6-12-10(9)14/h2,4,6,11,13H,1,3,5,7-8H2,(H,12,14).
What are the key properties of 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one?
3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 141339787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).