1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one

C11H17NO — CID 15147429

IUPAC1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one
SMILESCC1=CC2(C)CNCC(C)(C2)C1=O
InChIInChI=1S/C11H17NO/c1-8-4-10(2)5-11(3,9(8)13)7-12-6-10/h4,12H,5-7H2,1-3H3
InChIKeyMKCCIRQIVYFVDC-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.52
Rot. Bonds

About 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one

1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one (PubChem CID 15147429) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one.

Molecular Properties

Compound Name1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one
PubChem CID15147429
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one
SMILESCC1=CC2(C)CNCC(C)(C2)C1=O
InChIInChI=1S/C11H17NO/c1-8-4-10(2)5-11(3,9(8)13)7-12-6-10/h4,12H,5-7H2,1-3H3
InChIKeyMKCCIRQIVYFVDC-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one?
The IUPAC name of 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one (CID 15147429) is 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one.
What is the SMILES notation for 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one?
The canonical SMILES for 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one is CC1=CC2(C)CNCC(C)(C2)C1=O.
What is the InChIKey of 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one?
The InChIKey is MKCCIRQIVYFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-10(2)5-11(3,9(8)13)7-12-6-10/h4,12H,5-7H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one?
1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one has a molecular weight of 179.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one is sourced from PubChem (CID 15147429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).