1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C11H15N3O3 — CID 66261106

IUPAC1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H15N3O3/c15-8-9-3-1-6-14(9)10(16)7-13-5-2-4-12-11(13)17/h2,4-5,9,15H,1,3,6-8H2/t9-/m0/s1
InChIKeyFEDDUIYDVRBEHF-VIFPVBQESA-N
MW237.26 g/mol
LogP-0.77
Rot. Bonds3

About 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 66261106) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID66261106
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC[C@H]1CO
InChIInChI=1S/C11H15N3O3/c15-8-9-3-1-6-14(9)10(16)7-13-5-2-4-12-11(13)17/h2,4-5,9,15H,1,3,6-8H2/t9-/m0/s1
InChIKeyFEDDUIYDVRBEHF-VIFPVBQESA-N
XLogP-0.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 66261106) is 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCC[C@H]1CO.
What is the InChIKey of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is FEDDUIYDVRBEHF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3/c15-8-9-3-1-6-14(9)10(16)7-13-5-2-4-12-11(13)17/h2,4-5,9,15H,1,3,6-8H2/t9-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 66261106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).