6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione

C10H9NO2 — CID 126745004

IUPAC6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
SMILESCc1c(C)c2ccc1c(=O)[nH]c2=O
InChIInChI=1S/C10H9NO2/c1-5-6(2)8-4-3-7(5)9(12)11-10(8)13/h3-4H,1-2H3,(H,11,12,13)
InChIKeyWILZMKBAGALMDR-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.94
Rot. Bonds

About 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione

6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione (PubChem CID 126745004) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione.

Molecular Properties

Compound Name6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
PubChem CID126745004
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
SMILESCc1c(C)c2ccc1c(=O)[nH]c2=O
InChIInChI=1S/C10H9NO2/c1-5-6(2)8-4-3-7(5)9(12)11-10(8)13/h3-4H,1-2H3,(H,11,12,13)
InChIKeyWILZMKBAGALMDR-UHFFFAOYSA-N
XLogP0.94
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-3,4,8-trimethyl-1H-quinolin-2-one
CID 14483606
6-amino-3,4-dimethyl-2H-isoquinolin-1-one
CID 175921906
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517589
3-chloro-4-methyl-2H-isoquinolin-1-one
CID 134913358
6-methoxy-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 154365196
5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
CID 23335375
6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one
CID 134859835
but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 145379100
2,9-dimethyl-5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11148828
3-methyl-5H-phenanthridin-6-one
CID 59877971
6-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517705
4,13-diazaoctacyclo[17.5.2.02,6.07,23.010,22.011,15.016,21.020,24]hexacosa-1(24),2(6),7(23),8,10(22),11(15),16(21),17,19,25-decaene-3,5,12,14-tetrone
CID 102228646

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione?
The IUPAC name of 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione (CID 126745004) is 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione.
What is the SMILES notation for 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione?
The canonical SMILES for 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione is Cc1c(C)c2ccc1c(=O)[nH]c2=O.
What is the InChIKey of 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione?
The InChIKey is WILZMKBAGALMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-5-6(2)8-4-3-7(5)9(12)11-10(8)13/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione?
6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione has a molecular weight of 175.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione is sourced from PubChem (CID 126745004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).