1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one

C14H20N2O — CID 13183099

IUPAC1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one
SMILESO=c1c2c(nc3n1CCCCC3)CCCCC2
InChIInChI=1S/C14H20N2O/c17-14-11-7-3-1-4-8-12(11)15-13-9-5-2-6-10-16(13)14/h1-10H2
InChIKeyMFSBZLHBBAEJNK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.24
Rot. Bonds

About 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one

1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one (PubChem CID 13183099) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one.

Molecular Properties

Compound Name1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one
PubChem CID13183099
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one
SMILESO=c1c2c(nc3n1CCCCC3)CCCCC2
InChIInChI=1S/C14H20N2O/c17-14-11-7-3-1-4-8-12(11)15-13-9-5-2-6-10-16(13)14/h1-10H2
InChIKeyMFSBZLHBBAEJNK-UHFFFAOYSA-N
XLogP2.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one?
The IUPAC name of 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one (CID 13183099) is 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one.
What is the SMILES notation for 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one?
The canonical SMILES for 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one is O=c1c2c(nc3n1CCCCC3)CCCCC2.
What is the InChIKey of 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one?
The InChIKey is MFSBZLHBBAEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-11-7-3-1-4-8-12(11)15-13-9-5-2-6-10-16(13)14/h1-10H2.
What are the key properties of 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one?
1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazatricyclo[9.5.0.03,9]hexadeca-3(9),10-dien-2-one is sourced from PubChem (CID 13183099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).