1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one

C8H11N3O — CID 20792003

IUPAC1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one
SMILESO=c1ncccn1[C@H]1CCNC1
InChIInChI=1S/C8H11N3O/c12-8-10-3-1-5-11(8)7-2-4-9-6-7/h1,3,5,7,9H,2,4,6H2/t7-/m0/s1
InChIKeyJHEQXLUXLMHUIR-ZETCQYMHSA-N
MW165.20 g/mol
LogP-0.22
Rot. Bonds1

About 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one

1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one (PubChem CID 20792003) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one
PubChem CID20792003
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one
SMILESO=c1ncccn1[C@H]1CCNC1
InChIInChI=1S/C8H11N3O/c12-8-10-3-1-5-11(8)7-2-4-9-6-7/h1,3,5,7,9H,2,4,6H2/t7-/m0/s1
InChIKeyJHEQXLUXLMHUIR-ZETCQYMHSA-N
XLogP-0.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one?
The IUPAC name of 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one (CID 20792003) is 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one.
What is the SMILES notation for 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one?
The canonical SMILES for 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one is O=c1ncccn1[C@H]1CCNC1.
What is the InChIKey of 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one?
The InChIKey is JHEQXLUXLMHUIR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-10-3-1-5-11(8)7-2-4-9-6-7/h1,3,5,7,9H,2,4,6H2/t7-/m0/s1.
What are the key properties of 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one?
1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one has a molecular weight of 165.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-pyrrolidin-3-yl]pyrimidin-2-one is sourced from PubChem (CID 20792003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).