4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one

C14H13N3O2 — CID 122244996

IUPAC4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1C2CCC1c1ccccc12
InChIInChI=1S/C14H13N3O2/c18-13(10-7-15-14(19)16-10)17-11-5-6-12(17)9-4-2-1-3-8(9)11/h1-4,7,11-12H,5-6H2,(H2,15,16,19)
InChIKeyVBYQWYDJMMIGBF-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.74
Rot. Bonds1

About 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one

4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 122244996) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID122244996
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1C2CCC1c1ccccc12
InChIInChI=1S/C14H13N3O2/c18-13(10-7-15-14(19)16-10)17-11-5-6-12(17)9-4-2-1-3-8(9)11/h1-4,7,11-12H,5-6H2,(H2,15,16,19)
InChIKeyVBYQWYDJMMIGBF-UHFFFAOYSA-N
XLogP1.74
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one (CID 122244996) is 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1C2CCC1c1ccccc12.
What is the InChIKey of 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is VBYQWYDJMMIGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13(10-7-15-14(19)16-10)17-11-5-6-12(17)9-4-2-1-3-8(9)11/h1-4,7,11-12H,5-6H2,(H2,15,16,19).
What are the key properties of 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one?
4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 122244996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).