1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one

C10H15NO — CID 19006324

IUPAC1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one
SMILESCCC(=O)C1=CC2CCC(C1)N2
InChIInChI=1S/C10H15NO/c1-2-10(12)7-5-8-3-4-9(6-7)11-8/h5,8-9,11H,2-4,6H2,1H3
InChIKeyRCPNFJNWIXOGLP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.42
Rot. Bonds2

About 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one

1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one (PubChem CID 19006324) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one
PubChem CID19006324
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one
SMILESCCC(=O)C1=CC2CCC(C1)N2
InChIInChI=1S/C10H15NO/c1-2-10(12)7-5-8-3-4-9(6-7)11-8/h5,8-9,11H,2-4,6H2,1H3
InChIKeyRCPNFJNWIXOGLP-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Anatoxin A
CID 3034748
1-(9-Azabicyclo(4.2.1)non-2-en-2-yl)ethanone
CID 431734
Ethanone, 1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-(9CI)
CID 585756
1-(8-Azabicyclo[3.2.1]oct-2-en-2-yl)ethanone
CID 578833
Homoanatoxin
CID 126727
(-)-Norferruginine
CID 10888091
1-[(1R,5S)-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethan-1-one
CID 11332920
1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
CID 10012258
Anatoxin A hydrochloride
CID 135265
Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-, hydrochloride, (+-)-
CID 3053838
4-Oxohomoanatoxin-A
CID 71419096
N,N-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxamide
CID 44304689

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one (CID 19006324) is 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one is CCC(=O)C1=CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one?
The InChIKey is RCPNFJNWIXOGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-10(12)7-5-8-3-4-9(6-7)11-8/h5,8-9,11H,2-4,6H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one?
1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]oct-2-en-3-yl)propan-1-one is sourced from PubChem (CID 19006324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).