(4S)-4,5-dimethylcyclopent-2-en-1-one

C7H10O — CID 59939751

IUPAC(4S)-4,5-dimethylcyclopent-2-en-1-one
SMILESCC1C(=O)C=C[C@@H]1C
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-6H,1-2H3/t5-,6?/m0/s1
InChIKeyBZVMUEZSBHAIJA-ZBHICJROSA-N
MW110.16 g/mol
LogP1.40
Rot. Bonds

About (4S)-4,5-dimethylcyclopent-2-en-1-one

(4S)-4,5-dimethylcyclopent-2-en-1-one (PubChem CID 59939751) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (4S)-4,5-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4,5-dimethylcyclopent-2-en-1-one
PubChem CID59939751
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(4S)-4,5-dimethylcyclopent-2-en-1-one
SMILESCC1C(=O)C=C[C@@H]1C
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-6H,1-2H3/t5-,6?/m0/s1
InChIKeyBZVMUEZSBHAIJA-ZBHICJROSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
CID 12892584
(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one
CID 13037815
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
1,2-dimethylcyclopentane;4,5-dimethylcyclopentane-1,3-diol;4,5-dimethylcyclopent-2-en-1-one;bis(4-hydroxy-2,3-dimethylcyclopentan-1-one)
CID 162014527
3,7-dimethyl-3,3a,7,7a-tetrahydro-1H-indene-2,4-dione
CID 85125810
6-methyl-6,6a-dihydro-3aH-pentalen-1-one
CID 72755552
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133
(2R,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10749188
(3R,4S,5S,7R,9Z,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
CID 6441955
(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one
CID 126757319
2-hydroxy-6-(3-methyloxiran-2-yl)-2H-pyran-5-one
CID 15237092
(4S,5S)-4-methyl-5-(phenylmethoxymethyl)cyclopent-2-en-1-one
CID 58620301

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-dimethylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4,5-dimethylcyclopent-2-en-1-one (CID 59939751) is (4S)-4,5-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4,5-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4,5-dimethylcyclopent-2-en-1-one is CC1C(=O)C=C[C@@H]1C.
What is the InChIKey of (4S)-4,5-dimethylcyclopent-2-en-1-one?
The InChIKey is BZVMUEZSBHAIJA-ZBHICJROSA-N. The full InChI is InChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-6H,1-2H3/t5-,6?/m0/s1.
What are the key properties of (4S)-4,5-dimethylcyclopent-2-en-1-one?
(4S)-4,5-dimethylcyclopent-2-en-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 59939751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).