1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one

C9H14N2O2 — CID 82897196

IUPAC1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCO
InChIInChI=1S/C9H14N2O2/c12-8-5-10-4-7-11-6-2-1-3-9(11)13/h1-3,6,10,12H,4-5,7-8H2
InChIKeyLOSFCHDDLBPFEJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.57
Rot. Bonds5

About 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one

1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one (PubChem CID 82897196) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one
PubChem CID82897196
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCO
InChIInChI=1S/C9H14N2O2/c12-8-5-10-4-7-11-6-2-1-3-9(11)13/h1-3,6,10,12H,4-5,7-8H2
InChIKeyLOSFCHDDLBPFEJ-UHFFFAOYSA-N
XLogP-0.57
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one (CID 82897196) is 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one is O=c1ccccn1CCNCCO.
What is the InChIKey of 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one?
The InChIKey is LOSFCHDDLBPFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-5-10-4-7-11-6-2-1-3-9(11)13/h1-3,6,10,12H,4-5,7-8H2.
What are the key properties of 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one?
1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 82897196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).