1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one

C15H18N2O — CID 12631875

IUPAC1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one
SMILESO=C1CCC2N1CCC1CCc3ccccc3N12
InChIInChI=1S/C15H18N2O/c18-15-8-7-14-16(15)10-9-12-6-5-11-3-1-2-4-13(11)17(12)14/h1-4,12,14H,5-10H2
InChIKeyJGNCMKQVQCJOLJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.16
Rot. Bonds

About 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one

1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one (PubChem CID 12631875) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one.

Molecular Properties

Compound Name1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one
PubChem CID12631875
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one
SMILESO=C1CCC2N1CCC1CCc3ccccc3N12
InChIInChI=1S/C15H18N2O/c18-15-8-7-14-16(15)10-9-12-6-5-11-3-1-2-4-13(11)17(12)14/h1-4,12,14H,5-10H2
InChIKeyJGNCMKQVQCJOLJ-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one?
The IUPAC name of 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one (CID 12631875) is 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one.
What is the SMILES notation for 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one?
The canonical SMILES for 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one is O=C1CCC2N1CCC1CCc3ccccc3N12.
What is the InChIKey of 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one?
The InChIKey is JGNCMKQVQCJOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15-8-7-14-16(15)10-9-12-6-5-11-3-1-2-4-13(11)17(12)14/h1-4,12,14H,5-10H2.
What are the key properties of 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one?
1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one has a molecular weight of 242.32 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-trien-14-one is sourced from PubChem (CID 12631875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).