4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one

C11H15N3O3 — CID 63762724

IUPAC4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H15N3O3/c15-8-3-6-1-2-7(4-8)14(6)10(16)9-5-12-11(17)13-9/h5-8,15H,1-4H2,(H2,12,13,17)
InChIKeyBVKMPZAUMMUOGI-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.17
Rot. Bonds1

About 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one

4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 63762724) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID63762724
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H15N3O3/c15-8-3-6-1-2-7(4-8)14(6)10(16)9-5-12-11(17)13-9/h5-8,15H,1-4H2,(H2,12,13,17)
InChIKeyBVKMPZAUMMUOGI-UHFFFAOYSA-N
XLogP-0.17
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one (CID 63762724) is 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1C2CCC1CC(O)C2.
What is the InChIKey of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is BVKMPZAUMMUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-8-3-6-1-2-7(4-8)14(6)10(16)9-5-12-11(17)13-9/h5-8,15H,1-4H2,(H2,12,13,17).
What are the key properties of 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one?
4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 237.26 g/mol, XLogP of -0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 63762724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).