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

C14H15N3O2 — CID 122270464

IUPAC1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1C2CCC1c1ccccc12
InChIInChI=1S/C14H15N3O2/c18-13-15-7-8-16(13)14(19)17-11-5-6-12(17)10-4-2-1-3-9(10)11/h1-4,11-12H,5-8H2,(H,15,18)
InChIKeyCNZDOLVHRMOSJV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.02
Rot. Bonds

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

1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one (PubChem CID 122270464) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one
PubChem CID122270464
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1C2CCC1c1ccccc12
InChIInChI=1S/C14H15N3O2/c18-13-15-7-8-16(13)14(19)17-11-5-6-12(17)10-4-2-1-3-9(10)11/h1-4,11-12H,5-8H2,(H,15,18)
InChIKeyCNZDOLVHRMOSJV-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one (CID 122270464) is 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)N1C2CCC1c1ccccc12.
What is the InChIKey of 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one?
The InChIKey is CNZDOLVHRMOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-15-7-8-16(13)14(19)17-11-5-6-12(17)10-4-2-1-3-9(10)11/h1-4,11-12H,5-8H2,(H,15,18).
What are the key properties of 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one?
1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 122270464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).