(3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one

C14H16O3 — CID 132560285

IUPAC(3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one
SMILESCC1([C@]2(C)CCC(=O)C2)Oc2ccccc2O1
InChIInChI=1S/C14H16O3/c1-13(8-7-10(15)9-13)14(2)16-11-5-3-4-6-12(11)17-14/h3-6H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyZKQFXSVSHSNZIV-CYBMUJFWSA-N
MW232.28 g/mol
LogP2.93
Rot. Bonds1

About (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one

(3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one (PubChem CID 132560285) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one
PubChem CID132560285
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one
SMILESCC1([C@]2(C)CCC(=O)C2)Oc2ccccc2O1
InChIInChI=1S/C14H16O3/c1-13(8-7-10(15)9-13)14(2)16-11-5-3-4-6-12(11)17-14/h3-6H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyZKQFXSVSHSNZIV-CYBMUJFWSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[6H-benzo[b][1]benzoxepine-5,3'-cyclopentane]-1'-one
CID 59416811
(3S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-one
CID 135062360
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
(4aR,8aR)-4a,8a-dimethyl-3,4,5,6-tetrahydro-1H-naphthalen-2-one
CID 130831423
3-methyl-3-naphthalen-2-ylcyclopentan-1-one
CID 116538503
(3R)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-one
CID 101484684
1,3-benzodioxole;2,2-dimethyl-1,3-benzodioxole
CID 21273269
3-ethyl-3-phenylcyclohexan-1-one
CID 135001178
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
(1R,5R)-1-methyl-5-phenylbicyclo[3.1.0]hexan-3-one
CID 132839315

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one?
The IUPAC name of (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one (CID 132560285) is (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one.
What is the SMILES notation for (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one?
The canonical SMILES for (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one is CC1([C@]2(C)CCC(=O)C2)Oc2ccccc2O1.
What is the InChIKey of (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one?
The InChIKey is ZKQFXSVSHSNZIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16O3/c1-13(8-7-10(15)9-13)14(2)16-11-5-3-4-6-12(11)17-14/h3-6H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one?
(3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-(2-methyl-1,3-benzodioxol-2-yl)cyclopentan-1-one is sourced from PubChem (CID 132560285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).