1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C10H15NO — CID 154709316

IUPAC1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESC=C1CC2CC[C@H](C1)N2C(C)=O
InChIInChI=1S/C10H15NO/c1-7-5-9-3-4-10(6-7)11(9)8(2)12/h9-10H,1,3-6H2,2H3/t9-,10?/m1/s1
InChIKeyZJRJZHOTUCIOEB-YHMJZVADSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds

About 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone

1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 154709316) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID154709316
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESC=C1CC2CC[C@H](C1)N2C(C)=O
InChIInChI=1S/C10H15NO/c1-7-5-9-3-4-10(6-7)11(9)8(2)12/h9-10H,1,3-6H2,2H3/t9-,10?/m1/s1
InChIKeyZJRJZHOTUCIOEB-YHMJZVADSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Prop-1-en-2-ylpiperidin-1-yl)ethanone
CID 91499746
1-(2-Ethyl-4-methylidenepiperidin-1-yl)ethanone
CID 121367272
1-(2-Methyl-4-methylidenepiperidin-1-yl)ethanone
CID 134165353
1-(2-Methyl-4-methylidenepyrrolidin-1-yl)ethanone
CID 135129354
1-[(2R)-2-methyl-4-methylidenepyrrolidin-1-yl]ethanone
CID 146356943
8-Cyclobutanecarbonyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 132372197
2,2-dimethyl-1-((1R,5S)-3-methylene-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 132372198
cyclopropyl((1R,5S)-3-methylene-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 132372202
1-{3-Methylidene-8-azabicyclo[3.2.1]octan-8-yl}pent-4-en-1-one
CID 132372204
1-(3-Cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 137889270
1-(3-Methylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 137889299
1-(3-Ethylidene-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 137915979

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 154709316) is 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone is C=C1CC2CC[C@H](C1)N2C(C)=O.
What is the InChIKey of 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is ZJRJZHOTUCIOEB-YHMJZVADSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-5-9-3-4-10(6-7)11(9)8(2)12/h9-10H,1,3-6H2,2H3/t9-,10?/m1/s1.
What are the key properties of 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 154709316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).