4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one

C11H16N4O2 — CID 113284790

IUPAC4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H16N4O2/c16-10(9-5-12-11(17)14-9)15-4-3-7-1-2-8(6-15)13-7/h5,7-8,13H,1-4,6H2,(H2,12,14,17)
InChIKeyNZIQCJSBGSAJHX-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.33
Rot. Bonds1

About 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one

4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 113284790) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID113284790
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H16N4O2/c16-10(9-5-12-11(17)14-9)15-4-3-7-1-2-8(6-15)13-7/h5,7-8,13H,1-4,6H2,(H2,12,14,17)
InChIKeyNZIQCJSBGSAJHX-UHFFFAOYSA-N
XLogP-0.33
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one (CID 113284790) is 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCC2CCC(C1)N2.
What is the InChIKey of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is NZIQCJSBGSAJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(9-5-12-11(17)14-9)15-4-3-7-1-2-8(6-15)13-7/h5,7-8,13H,1-4,6H2,(H2,12,14,17).
What are the key properties of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one?
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 113284790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).