1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone

C8H12O — CID 12754424

IUPAC1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone
SMILESC=C1C(C(C)=O)C1(C)C
InChIInChI=1S/C8H12O/c1-5-7(6(2)9)8(5,3)4/h7H,1H2,2-4H3
InChIKeyRKOCHEYSEBAQRX-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.79
Rot. Bonds1

About 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone

1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone (PubChem CID 12754424) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone
PubChem CID12754424
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone
SMILESC=C1C(C(C)=O)C1(C)C
InChIInChI=1S/C8H12O/c1-5-7(6(2)9)8(5,3)4/h7H,1H2,2-4H3
InChIKeyRKOCHEYSEBAQRX-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.79
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

methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone
CID 131007708
3-acetyl-5,5-diethyl-4,4-dimethyloxolan-2-one
CID 10560499
[(1S,5R,6S)-7,7-dimethyl-2-methylidene-6-bicyclo[3.1.1]heptanyl] acetate
CID 11127146
methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate
CID 135069412
1-(2-acetyl-4-methylidenecyclopentyl)ethanone
CID 13218158
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973
1-(7,7-dimethyl-4-methylidene-3-bicyclo[4.1.0]heptanyl)ethanone
CID 71320693
(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 140650831
1-(1-methyl-3-methylidenecyclobutyl)ethanone
CID 20614511
[(1R,4R,5R)-3,3-dimethyl-2-methylidene-4-propan-2-yl-6-oxabicyclo[3.1.0]hexan-1-yl] acetate
CID 102181235
4-acetyl-6-methylidenepiperidin-2-one
CID 89357523

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone?
The IUPAC name of 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone (CID 12754424) is 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone.
What is the SMILES notation for 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone?
The canonical SMILES for 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone is C=C1C(C(C)=O)C1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone?
The InChIKey is RKOCHEYSEBAQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-5-7(6(2)9)8(5,3)4/h7H,1H2,2-4H3.
What are the key properties of 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone?
1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone has a molecular weight of 124.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone is sourced from PubChem (CID 12754424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).