7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

C12H15BrN2O — CID 166901625

IUPAC7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1(C)Cc2c(Br)c3n(c2C1)CCNC3=O
InChIInChI=1S/C12H15BrN2O/c1-12(2)5-7-8(6-12)15-4-3-14-11(16)10(15)9(7)13/h3-6H2,1-2H3,(H,14,16)
InChIKeyHISIFBDKWJXKQH-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.12
Rot. Bonds

About 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (PubChem CID 166901625) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.

Molecular Properties

Compound Name7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
PubChem CID166901625
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1(C)Cc2c(Br)c3n(c2C1)CCNC3=O
InChIInChI=1S/C12H15BrN2O/c1-12(2)5-7-8(6-12)15-4-3-14-11(16)10(15)9(7)13/h3-6H2,1-2H3,(H,14,16)
InChIKeyHISIFBDKWJXKQH-UHFFFAOYSA-N
XLogP2.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The IUPAC name of 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (CID 166901625) is 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.
What is the SMILES notation for 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The canonical SMILES for 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is CC1(C)Cc2c(Br)c3n(c2C1)CCNC3=O.
What is the InChIKey of 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The InChIKey is HISIFBDKWJXKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-12(2)5-7-8(6-12)15-4-3-14-11(16)10(15)9(7)13/h3-6H2,1-2H3,(H,14,16).
What are the key properties of 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one has a molecular weight of 283.17 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is sourced from PubChem (CID 166901625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).