1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone

C11H17NO — CID 19098820

IUPAC1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
SMILESCC(=O)C1=C(C)CC2CCC1N2C
InChIInChI=1S/C11H17NO/c1-7-6-9-4-5-10(12(9)3)11(7)8(2)13/h9-10H,4-6H2,1-3H3
InChIKeyPFBWXIXWNBEROV-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.76
Rot. Bonds1

About 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone

1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone (PubChem CID 19098820) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
PubChem CID19098820
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
SMILESCC(=O)C1=C(C)CC2CCC1N2C
InChIInChI=1S/C11H17NO/c1-7-6-9-4-5-10(12(9)3)11(7)8(2)13/h9-10H,4-6H2,1-3H3
InChIKeyPFBWXIXWNBEROV-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The IUPAC name of 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone (CID 19098820) is 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone.
What is the SMILES notation for 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The canonical SMILES for 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone is CC(=O)C1=C(C)CC2CCC1N2C.
What is the InChIKey of 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
The InChIKey is PFBWXIXWNBEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-6-9-4-5-10(12(9)3)11(7)8(2)13/h9-10H,4-6H2,1-3H3.
What are the key properties of 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone?
1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)ethanone is sourced from PubChem (CID 19098820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).