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

C12H17ClN2O — CID 23321506

IUPAC1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride
SMILESCl.O=c1c2c(nc3n1CCCCC3)CCC2
InChIInChI=1S/C12H16N2O.ClH/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12;/h1-8H2;1H
InChIKeyGHIDOCIFJIWUKX-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.88
Rot. Bonds

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

1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride (PubChem CID 23321506) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride.

Molecular Properties

Compound Name1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride
PubChem CID23321506
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride
SMILESCl.O=c1c2c(nc3n1CCCCC3)CCC2
InChIInChI=1S/C12H16N2O.ClH/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12;/h1-8H2;1H
InChIKeyGHIDOCIFJIWUKX-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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;hydrochloride?
The IUPAC name of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride (CID 23321506) is 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride.
What is the SMILES notation for 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride?
The canonical SMILES for 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride is Cl.O=c1c2c(nc3n1CCCCC3)CCC2.
What is the InChIKey of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride?
The InChIKey is GHIDOCIFJIWUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12;/h1-8H2;1H.
What are the key properties of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride?
1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 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;hydrochloride is sourced from PubChem (CID 23321506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).