1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone

C11H17NO — CID 585760

IUPAC1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone
SMILESCC(=O)C1=CCCC2CCC1N2C
InChIInChI=1S/C11H17NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h5,9,11H,3-4,6-7H2,1-2H3
InChIKeyBBHQBUAEQKZXMW-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.76
Rot. Bonds1

About 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone

1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone (PubChem CID 585760) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone.

Molecular Properties

Compound Name1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone
PubChem CID585760
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone
SMILESCC(=O)C1=CCCC2CCC1N2C
InChIInChI=1S/C11H17NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h5,9,11H,3-4,6-7H2,1-2H3
InChIKeyBBHQBUAEQKZXMW-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-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone?
The IUPAC name of 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone (CID 585760) is 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone.
What is the SMILES notation for 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone?
The canonical SMILES for 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone is CC(=O)C1=CCCC2CCC1N2C.
What is the InChIKey of 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone?
The InChIKey is BBHQBUAEQKZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h5,9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone?
1-(9-methyl-9-azabicyclo[4.2.1]non-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-(9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone is sourced from PubChem (CID 585760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).