2,2-dimethyl-3-methylidenecyclopentan-1-one

C8H12O — CID 130031210

IUPAC2,2-dimethyl-3-methylidenecyclopentan-1-one
SMILESC=C1CCC(=O)C1(C)C
InChIInChI=1S/C8H12O/c1-6-4-5-7(9)8(6,2)3/h1,4-5H2,2-3H3
InChIKeyUJBOIONQCJWWCY-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds

About 2,2-dimethyl-3-methylidenecyclopentan-1-one

2,2-dimethyl-3-methylidenecyclopentan-1-one (PubChem CID 130031210) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidenecyclopentan-1-one
PubChem CID130031210
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2,2-dimethyl-3-methylidenecyclopentan-1-one
SMILESC=C1CCC(=O)C1(C)C
InChIInChI=1S/C8H12O/c1-6-4-5-7(9)8(6,2)3/h1,4-5H2,2-3H3
InChIKeyUJBOIONQCJWWCY-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
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 1-methyl-2-methylidene-5-oxocyclopentane-1-carboxylate
CID 15064856
sodium;2,2-dimethylcyclohexane-1,3-dione;hydride
CID 173462219
2,2,3,3-tetramethyl-4-methylidenecyclopentan-1-one
CID 126682242
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
1,3,3-trimethylpiperidine-2,4-dione
CID 21448626
(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one
CID 130922997
4-ethyl-2,2-dimethylcyclohexane-1,3-dione
CID 67984878
2-ethyl-2-methylcyclopentane-1,3-dione
CID 574386
3a-methyl-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-azulen-4-one
CID 130031618
1,3,3-trimethyl-5-methylidenepyrrolidin-2-one
CID 132820770
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
3-bromo-2,2-dimethylcyclohexane-1,4-dione
CID 154728965

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylidenecyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-3-methylidenecyclopentan-1-one (CID 130031210) is 2,2-dimethyl-3-methylidenecyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-methylidenecyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-3-methylidenecyclopentan-1-one is C=C1CCC(=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylidenecyclopentan-1-one?
The InChIKey is UJBOIONQCJWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-5-7(9)8(6,2)3/h1,4-5H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-methylidenecyclopentan-1-one?
2,2-dimethyl-3-methylidenecyclopentan-1-one has a molecular weight of 124.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidenecyclopentan-1-one is sourced from PubChem (CID 130031210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).