8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one

C11H15NO2 — CID 90775840

IUPAC8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one
SMILESC=CC(=O)C1C(=O)CC2CCC1N2C
InChIInChI=1S/C11H15NO2/c1-3-9(13)11-8-5-4-7(12(8)2)6-10(11)14/h3,7-8,11H,1,4-6H2,2H3
InChIKeyLKDOGZYPZARNTN-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.79
Rot. Bonds2

About 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one

8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 90775840) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID90775840
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one
SMILESC=CC(=O)C1C(=O)CC2CCC1N2C
InChIInChI=1S/C11H15NO2/c1-3-9(13)11-8-5-4-7(12(8)2)6-10(11)14/h3,7-8,11H,1,4-6H2,2H3
InChIKeyLKDOGZYPZARNTN-UHFFFAOYSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S)-2,8-bis(prop-2-enyl)-8-azabicyclo[3.2.1]octan-3-one
CID 134947963
(1S,2S)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 134966008
(1S,5R)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 102234243
2-Acetyl-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 4737330
(1R,5S)-8-methyl-2-[(E)-2-methylbut-2-enoyl]-8-azabicyclo[3.2.1]octan-3-one
CID 11806251
(1R,2R,5S)-2,8-bis(prop-2-enyl)-8-azabicyclo[3.2.1]octan-3-one
CID 102098120
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-en-1-one
CID 112680603
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-one
CID 112680668
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)hex-5-en-1-one
CID 112680752
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-one
CID 112680756
1-(8-Azabicyclo[3.2.1]octan-3-yl)but-3-en-2-one
CID 116588306
(1R,2S,5R)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 125484860

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one (CID 90775840) is 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one is C=CC(=O)C1C(=O)CC2CCC1N2C.
What is the InChIKey of 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is LKDOGZYPZARNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9(13)11-8-5-4-7(12(8)2)6-10(11)14/h3,7-8,11H,1,4-6H2,2H3.
What are the key properties of 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one?
8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 90775840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).