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

C7H10O — CID 12892584

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

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

(4S,5R)-4,5-dimethylcyclopent-2-en-1-one (PubChem CID 12892584) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
PubChem CID12892584
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
SMILESC[C@H]1C=CC(=O)[C@@H]1C
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyBZVMUEZSBHAIJA-NTSWFWBYSA-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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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethylcyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4,5-dimethylcyclopent-2-en-1-one (CID 12892584) is (4S,5R)-4,5-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4,5-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4,5-dimethylcyclopent-2-en-1-one is C[C@H]1C=CC(=O)[C@@H]1C.
What is the InChIKey of (4S,5R)-4,5-dimethylcyclopent-2-en-1-one?
The InChIKey is BZVMUEZSBHAIJA-NTSWFWBYSA-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,5R)-4,5-dimethylcyclopent-2-en-1-one?
(4S,5R)-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,5R)-4,5-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 12892584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).