3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one

C11H16O2 — CID 24971611

IUPAC3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one
SMILESCC1=C(C2CCC2CO)CCC1=O
InChIInChI=1S/C11H16O2/c1-7-9(4-5-11(7)13)10-3-2-8(10)6-12/h8,10,12H,2-6H2,1H3
InChIKeyTVQWJXWXGILJJU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.68
Rot. Bonds2

About 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one

3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one (PubChem CID 24971611) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one
PubChem CID24971611
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one
SMILESCC1=C(C2CCC2CO)CCC1=O
InChIInChI=1S/C11H16O2/c1-7-9(4-5-11(7)13)10-3-2-8(10)6-12/h8,10,12H,2-6H2,1H3
InChIKeyTVQWJXWXGILJJU-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-2-methylcyclopent-2-en-1-one
CID 101018406
3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one
CID 130792829
(1R,5S,6S)-6-(hydroxymethyl)bicyclo[3.2.0]heptan-2-one
CID 102285247
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
(3R,3aR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
CID 13084352
(9aS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
CID 129095073
(1S,3aE,8R,9aS)-1,4-dimethyl-8-prop-1-en-2-yl-1,2,3,6,7,8,9,9a-octahydrocyclopenta[8]annulen-5-one
CID 162825637
(4aS,4bS,8aR)-1,7,7,8a-tetramethyl-3,4,4a,4b,5,6,8,9-octahydrofluoren-2-one
CID 102070786
ethyl 2,3-dioxocyclopentane-1-carboxylate
CID 130026867
[2-(3-fluorophenyl)cyclobutyl]methanol
CID 105438736
cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
CID 11389450
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one (CID 24971611) is 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one is CC1=C(C2CCC2CO)CCC1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one?
The InChIKey is TVQWJXWXGILJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-9(4-5-11(7)13)10-3-2-8(10)6-12/h8,10,12H,2-6H2,1H3.
What are the key properties of 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one?
3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 24971611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).