5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

C9H11N3O2 — CID 110848654

IUPAC5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-8-7(5-10-6-11-8)9(14)12-3-1-2-4-12/h5-6H,1-4H2,(H,10,11,13)
InChIKeyJCQRUYBZXGRQLI-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.01
Rot. Bonds1

About 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110848654) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110848654
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-8-7(5-10-6-11-8)9(14)12-3-1-2-4-12/h5-6H,1-4H2,(H,10,11,13)
InChIKeyJCQRUYBZXGRQLI-UHFFFAOYSA-N
XLogP0.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (CID 110848654) is 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCCC1.
What is the InChIKey of 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is JCQRUYBZXGRQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-7(5-10-6-11-8)9(14)12-3-1-2-4-12/h5-6H,1-4H2,(H,10,11,13).
What are the key properties of 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 193.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110848654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).