5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one

C15H9NO — CID 57220812

IUPAC5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one
SMILESO=C1C=C2C=CC3C=CC=c4ccc(c2c43)=N1
InChIInChI=1S/C15H9NO/c17-13-8-11-5-4-9-2-1-3-10-6-7-12(16-13)15(11)14(9)10/h1-9H
InChIKeyLSJJWLQDXOKRJJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.23
Rot. Bonds

About 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one

5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one (PubChem CID 57220812) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one.

Molecular Properties

Compound Name5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one
PubChem CID57220812
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Name5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one
SMILESO=C1C=C2C=CC3C=CC=c4ccc(c2c43)=N1
InChIInChI=1S/C15H9NO/c17-13-8-11-5-4-9-2-1-3-10-6-7-12(16-13)15(11)14(9)10/h1-9H
InChIKeyLSJJWLQDXOKRJJ-UHFFFAOYSA-N
XLogP1.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one?
The IUPAC name of 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one (CID 57220812) is 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one.
What is the SMILES notation for 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one?
The canonical SMILES for 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one is O=C1C=C2C=CC3C=CC=c4ccc(c2c43)=N1.
What is the InChIKey of 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one?
The InChIKey is LSJJWLQDXOKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c17-13-8-11-5-4-9-2-1-3-10-6-7-12(16-13)15(11)14(9)10/h1-9H.
What are the key properties of 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one?
5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one has a molecular weight of 219.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,12,15-heptaen-6-one is sourced from PubChem (CID 57220812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).