5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

C14H19BrN2O3 — CID 62467197

IUPAC5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCC1CCCO
InChIInChI=1S/C14H19BrN2O3/c15-11-5-6-13(19)16(9-11)10-14(20)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10H2
InChIKeyUWZXTLXEASYMBX-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.37
Rot. Bonds5

About 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 62467197) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID62467197
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCC1CCCO
InChIInChI=1S/C14H19BrN2O3/c15-11-5-6-13(19)16(9-11)10-14(20)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10H2
InChIKeyUWZXTLXEASYMBX-UHFFFAOYSA-N
XLogP1.37
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 62467197) is 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCCC1CCCO.
What is the InChIKey of 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is UWZXTLXEASYMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-11-5-6-13(19)16(9-11)10-14(20)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10H2.
What are the key properties of 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 343.22 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62467197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).