5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C13H18N2O3 — CID 62468957

IUPAC5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC1CCCO
InChIInChI=1S/C13H18N2O3/c16-8-2-4-11-3-1-7-15(11)13(18)10-5-6-12(17)14-9-10/h5-6,9,11,16H,1-4,7-8H2,(H,14,17)
InChIKeyLFBBIFPMCBBMDE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.75
Rot. Bonds4

About 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 62468957) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID62468957
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC1CCCO
InChIInChI=1S/C13H18N2O3/c16-8-2-4-11-3-1-7-15(11)13(18)10-5-6-12(17)14-9-10/h5-6,9,11,16H,1-4,7-8H2,(H,14,17)
InChIKeyLFBBIFPMCBBMDE-UHFFFAOYSA-N
XLogP0.75
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 62468957) is 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCCC1CCCO.
What is the InChIKey of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LFBBIFPMCBBMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-2-4-11-3-1-7-15(11)13(18)10-5-6-12(17)14-9-10/h5-6,9,11,16H,1-4,7-8H2,(H,14,17).
What are the key properties of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 62468957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).