1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one

C14H22N2O2 — CID 78942284

IUPAC1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCC1CCCO
InChIInChI=1S/C14H22N2O2/c17-12-4-6-13-5-3-9-15(13)10-11-16-8-2-1-7-14(16)18/h1-2,7-8,13,17H,3-6,9-12H2
InChIKeyXVMFZEURMLTLJF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.09
Rot. Bonds6

About 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one

1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one (PubChem CID 78942284) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
PubChem CID78942284
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCC1CCCO
InChIInChI=1S/C14H22N2O2/c17-12-4-6-13-5-3-9-15(13)10-11-16-8-2-1-7-14(16)18/h1-2,7-8,13,17H,3-6,9-12H2
InChIKeyXVMFZEURMLTLJF-UHFFFAOYSA-N
XLogP1.09
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one (CID 78942284) is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one is O=c1ccccn1CCN1CCCC1CCCO.
What is the InChIKey of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is XVMFZEURMLTLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-4-6-13-5-3-9-15(13)10-11-16-8-2-1-7-14(16)18/h1-2,7-8,13,17H,3-6,9-12H2.
What are the key properties of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 78942284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).