3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one

C9H14N2O3 — CID 10241835

IUPAC3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1N(CCO)CCO
InChIInChI=1S/C9H14N2O3/c12-6-4-11(5-7-13)8-2-1-3-10-9(8)14/h1-3,12-13H,4-7H2,(H,10,14)
InChIKeyONDQSNXWSGYGFK-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.83
Rot. Bonds5

About 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one

3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one (PubChem CID 10241835) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one
PubChem CID10241835
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1N(CCO)CCO
InChIInChI=1S/C9H14N2O3/c12-6-4-11(5-7-13)8-2-1-3-10-9(8)14/h1-3,12-13H,4-7H2,(H,10,14)
InChIKeyONDQSNXWSGYGFK-UHFFFAOYSA-N
XLogP-0.83
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one (CID 10241835) is 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one is O=c1[nH]cccc1N(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one?
The InChIKey is ONDQSNXWSGYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-6-4-11(5-7-13)8-2-1-3-10-9(8)14/h1-3,12-13H,4-7H2,(H,10,14).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one?
3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one has a molecular weight of 198.22 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 10241835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).