1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid

C12H17ClN2O5 — CID 23321504

IUPAC1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid
SMILESO=c1c2c(nc3n1CCCCC3)CCC2.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C12H16N2O.ClHO4/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12;2-1(3,4)5/h1-8H2;(H,2,3,4,5)
InChIKeyOJEFNUGKKVWWRQ-UHFFFAOYSA-N
MW304.73 g/mol
LogP-2.67
Rot. Bonds

About 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid

1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid (PubChem CID 23321504) has the molecular formula C12H17ClN2O5 and a molecular weight of 304.73 g/mol. Its IUPAC name is 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid.

Molecular Properties

Compound Name1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid
PubChem CID23321504
Molecular FormulaC12H17ClN2O5
Molecular Weight304.73 g/mol
Exact Mass304.08
IUPAC Name1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid
SMILESO=c1c2c(nc3n1CCCCC3)CCC2.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C12H16N2O.ClHO4/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12;2-1(3,4)5/h1-8H2;(H,2,3,4,5)
InChIKeyOJEFNUGKKVWWRQ-UHFFFAOYSA-N
XLogP-2.67
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 5-2.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid?
The IUPAC name of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid (CID 23321504) is 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid.
What is the SMILES notation for 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid?
The canonical SMILES for 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid is O=c1c2c(nc3n1CCCCC3)CCC2.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid?
The InChIKey is OJEFNUGKKVWWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClHO4/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12;2-1(3,4)5/h1-8H2;(H,2,3,4,5).
What are the key properties of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid?
1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid has a molecular weight of 304.73 g/mol, XLogP of -2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid is sourced from PubChem (CID 23321504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).