1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one

C13H17N3O3 — CID 63763968

IUPAC1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H17N3O3/c17-11-6-9-2-3-10(7-11)16(9)12(18)8-15-5-1-4-14-13(15)19/h1,4-5,9-11,17H,2-3,6-8H2
InChIKeyMDETXQRWGCPNPE-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.24
Rot. Bonds2

About 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one

1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 63763968) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID63763968
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H17N3O3/c17-11-6-9-2-3-10(7-11)16(9)12(18)8-15-5-1-4-14-13(15)19/h1,4-5,9-11,17H,2-3,6-8H2
InChIKeyMDETXQRWGCPNPE-UHFFFAOYSA-N
XLogP-0.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one (CID 63763968) is 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is MDETXQRWGCPNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11-6-9-2-3-10(7-11)16(9)12(18)8-15-5-1-4-14-13(15)19/h1,4-5,9-11,17H,2-3,6-8H2.
What are the key properties of 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 63763968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).