2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one

C11H18O — CID 130027282

IUPAC2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one
SMILESC=C(C)C1CC1C(=O)C(C)(C)C
InChIInChI=1S/C11H18O/c1-7(2)8-6-9(8)10(12)11(3,4)5/h8-9H,1,6H2,2-5H3
InChIKeyIEMQHTRDUVAQJC-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds2

About 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one

2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one (PubChem CID 130027282) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one
PubChem CID130027282
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one
SMILESC=C(C)C1CC1C(=O)C(C)(C)C
InChIInChI=1S/C11H18O/c1-7(2)8-6-9(8)10(12)11(3,4)5/h8-9H,1,6H2,2-5H3
InChIKeyIEMQHTRDUVAQJC-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
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

N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide
CID 168727027
2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one
CID 71034991
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
1-[2-(methoxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one
CID 59214776
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
CID 124704154
1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 153429546
1-[(1S,3aS,5R,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2,2-dimethylpropan-1-one
CID 10727185
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116917647
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one (CID 130027282) is 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one is C=C(C)C1CC1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one?
The InChIKey is IEMQHTRDUVAQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7(2)8-6-9(8)10(12)11(3,4)5/h8-9H,1,6H2,2-5H3.
What are the key properties of 2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one?
2,2-dimethyl-1-(2-prop-1-en-2-ylcyclopropyl)propan-1-one has a molecular weight of 166.26 g/mol, XLogP of 2.81, 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-(2-prop-1-en-2-ylcyclopropyl)propan-1-one is sourced from PubChem (CID 130027282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).