2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one

C13H21NO — CID 132560346

IUPAC2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
SMILESC=CCC1C2CN(C(=O)C(C)(C)C)CC12
InChIInChI=1S/C13H21NO/c1-5-6-9-10-7-14(8-11(9)10)12(15)13(2,3)4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyHNJAMGOUTJSZAI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.31
Rot. Bonds2

About 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one

2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one (PubChem CID 132560346) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
PubChem CID132560346
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
SMILESC=CCC1C2CN(C(=O)C(C)(C)C)CC12
InChIInChI=1S/C13H21NO/c1-5-6-9-10-7-14(8-11(9)10)12(15)13(2,3)4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyHNJAMGOUTJSZAI-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one with MolForge

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Related Compounds

1-[(2S,3R)-2-ethenyl-3-ethylpiperidin-1-yl]propan-1-one
CID 11830334
1-[(2R,3R)-2-ethenyl-3-ethylpiperidin-1-yl]propan-1-one
CID 134872032
1-(4-Pent-4-enylpiperidin-1-yl)ethanone
CID 162403313
8-But-3-enoyl-2-methyl-2,8-diazaspiro[4.5]decane
CID 50973673
[1-(2,2-Dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56702288
1-[(3S)-3-methyl-3-prop-2-enylpiperidin-1-yl]ethanone
CID 89318124
1-(3-Ethenyl-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123414783
1-(3-Ethenyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123576410
1-(2-Ethenyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutan-1-one
CID 123665743
1-(3-Ethenyl-5,6-dimethyl-2-azabicyclo[3.1.0]hexan-2-yl)butan-1-one
CID 123885167
1-[(2R,5R)-2-ethenyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylbutan-1-one
CID 134421622
(2S)-1-[(3R,4R)-3,4-dimethylpiperidin-1-yl]-2-propan-2-ylpent-4-en-1-one
CID 139447210

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one (CID 132560346) is 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one is C=CCC1C2CN(C(=O)C(C)(C)C)CC12.
What is the InChIKey of 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
The InChIKey is HNJAMGOUTJSZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-9-10-7-14(8-11(9)10)12(15)13(2,3)4/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(6-prop-2-enyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one is sourced from PubChem (CID 132560346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).