6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide

C11H17N3O3 — CID 2928063

IUPAC6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCC12CN([N+](=O)[O-])C3(C(N)=O)CC1CCC23C
InChIInChI=1S/C11H17N3O3/c1-9-6-13(14(16)17)11(8(12)15)5-7(9)3-4-10(9,11)2/h7H,3-6H2,1-2H3,(H2,12,15)
InChIKeyUWJNPVCWVBHAMS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.54
Rot. Bonds2

About 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide

6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 2928063) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID2928063
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCC12CN([N+](=O)[O-])C3(C(N)=O)CC1CCC23C
InChIInChI=1S/C11H17N3O3/c1-9-6-13(14(16)17)11(8(12)15)5-7(9)3-4-10(9,11)2/h7H,3-6H2,1-2H3,(H2,12,15)
InChIKeyUWJNPVCWVBHAMS-UHFFFAOYSA-N
XLogP0.54
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 2928063) is 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide is CC12CN([N+](=O)[O-])C3(C(N)=O)CC1CCC23C.
What is the InChIKey of 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is UWJNPVCWVBHAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-6-13(14(16)17)11(8(12)15)5-7(9)3-4-10(9,11)2/h7H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide?
6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 2928063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).