1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one

C10H13N3O3 — CID 62918279

IUPAC1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC(O)C1
InChIInChI=1S/C10H13N3O3/c14-8-2-5-12(6-8)9(15)7-13-4-1-3-11-10(13)16/h1,3-4,8,14H,2,5-7H2
InChIKeyWRYGEDSNQVDDFP-UHFFFAOYSA-N
MW223.23 g/mol
LogP-1.16
Rot. Bonds2

About 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one

1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 62918279) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID62918279
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC(O)C1
InChIInChI=1S/C10H13N3O3/c14-8-2-5-12(6-8)9(15)7-13-4-1-3-11-10(13)16/h1,3-4,8,14H,2,5-7H2
InChIKeyWRYGEDSNQVDDFP-UHFFFAOYSA-N
XLogP-1.16
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one (CID 62918279) is 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCC(O)C1.
What is the InChIKey of 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is WRYGEDSNQVDDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-2-5-12(6-8)9(15)7-13-4-1-3-11-10(13)16/h1,3-4,8,14H,2,5-7H2.
What are the key properties of 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 223.23 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 62918279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).