(4S)-3,4-dimethylcyclopent-2-en-1-one

C7H10O — CID 86310528

IUPAC(4S)-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C[C@@H]1C
InChIInChI=1S/C7H10O/c1-5-3-7(8)4-6(5)2/h3,6H,4H2,1-2H3/t6-/m0/s1
InChIKeyXSOSLVVAKBKYRV-LURJTMIESA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds

About (4S)-3,4-dimethylcyclopent-2-en-1-one

(4S)-3,4-dimethylcyclopent-2-en-1-one (PubChem CID 86310528) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (4S)-3,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-3,4-dimethylcyclopent-2-en-1-one
PubChem CID86310528
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(4S)-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C[C@@H]1C
InChIInChI=1S/C7H10O/c1-5-3-7(8)4-6(5)2/h3,6H,4H2,1-2H3/t6-/m0/s1
InChIKeyXSOSLVVAKBKYRV-LURJTMIESA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-4-methylcyclopent-2-en-1-one
CID 574103
2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
CID 20537883
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
CID 100920328
[(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate
CID 130727881
(3aR,7aR)-2,2,7-trimethyl-3,3a,4,7a-tetrahydro-1H-inden-5-one
CID 11401100
4-benzyl-3-methylcyclopent-2-en-1-one
CID 130058504
(4R)-4-(furan-3-yl)-3-methylcyclopent-2-en-1-one
CID 164574449
(5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane
CID 177361127
2,3-dimethyl-1,2-dihydronaphthalene
CID 121008714
(4S)-4-hydroxy-3-methylcyclohex-2-en-1-one
CID 11550009
3-bromo-4,5-dimethylcyclohex-2-en-1-one
CID 86189490
(4aR,12bR)-4-methyl-4a,12b-dihydro-1H-triphenylen-2-one
CID 10083963

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of (4S)-3,4-dimethylcyclopent-2-en-1-one (CID 86310528) is (4S)-3,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-3,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-3,4-dimethylcyclopent-2-en-1-one is CC1=CC(=O)C[C@@H]1C.
What is the InChIKey of (4S)-3,4-dimethylcyclopent-2-en-1-one?
The InChIKey is XSOSLVVAKBKYRV-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O/c1-5-3-7(8)4-6(5)2/h3,6H,4H2,1-2H3/t6-/m0/s1.
What are the key properties of (4S)-3,4-dimethylcyclopent-2-en-1-one?
(4S)-3,4-dimethylcyclopent-2-en-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 86310528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).