7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide

C9H11N3O2 — CID 167529021

IUPAC7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide
SMILESNC(=O)c1cnn2c1OC1CCC2C1
InChIInChI=1S/C9H11N3O2/c10-8(13)7-4-11-12-5-1-2-6(3-5)14-9(7)12/h4-6H,1-3H2,(H2,10,13)
InChIKeyYDOOFHIZJTYEAA-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.47
Rot. Bonds1

About 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide

7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide (PubChem CID 167529021) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide.

Molecular Properties

Compound Name7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide
PubChem CID167529021
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide
SMILESNC(=O)c1cnn2c1OC1CCC2C1
InChIInChI=1S/C9H11N3O2/c10-8(13)7-4-11-12-5-1-2-6(3-5)14-9(7)12/h4-6H,1-3H2,(H2,10,13)
InChIKeyYDOOFHIZJTYEAA-UHFFFAOYSA-N
XLogP0.47
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide?
The IUPAC name of 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide (CID 167529021) is 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide.
What is the SMILES notation for 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide?
The canonical SMILES for 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide is NC(=O)c1cnn2c1OC1CCC2C1.
What is the InChIKey of 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide?
The InChIKey is YDOOFHIZJTYEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8(13)7-4-11-12-5-1-2-6(3-5)14-9(7)12/h4-6H,1-3H2,(H2,10,13).
What are the key properties of 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide?
7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2,3-diazatricyclo[6.2.1.02,6]undeca-3,5-diene-5-carboxamide is sourced from PubChem (CID 167529021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).