5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C13H16N2O — CID 10220032

IUPAC5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESC=Cc1ccc2n(c1=O)CC1CNCC2C1
InChIInChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2
InChIKeyVHMDFCVLQUZHMQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.20
Rot. Bonds1

About 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 10220032) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID10220032
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESC=Cc1ccc2n(c1=O)CC1CNCC2C1
InChIInChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2
InChIKeyVHMDFCVLQUZHMQ-UHFFFAOYSA-N
XLogP1.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 10220032) is 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is C=Cc1ccc2n(c1=O)CC1CNCC2C1.
What is the InChIKey of 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is VHMDFCVLQUZHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2.
What are the key properties of 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 216.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 10220032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).