(4S)-4-methoxy-2-methylcyclopent-2-en-1-one

C7H10O2 — CID 11018868

IUPAC(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
SMILESCO[C@@H]1C=C(C)C(=O)C1
InChIInChI=1S/C7H10O2/c1-5-3-6(9-2)4-7(5)8/h3,6H,4H2,1-2H3/t6-/m1/s1
InChIKeyJRVNHNSCUUNPJJ-ZCFIWIBFSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About (4S)-4-methoxy-2-methylcyclopent-2-en-1-one

(4S)-4-methoxy-2-methylcyclopent-2-en-1-one (PubChem CID 11018868) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (4S)-4-methoxy-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
PubChem CID11018868
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
SMILESCO[C@@H]1C=C(C)C(=O)C1
InChIInChI=1S/C7H10O2/c1-5-3-6(9-2)4-7(5)8/h3,6H,4H2,1-2H3/t6-/m1/s1
InChIKeyJRVNHNSCUUNPJJ-ZCFIWIBFSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-2-methylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-methoxy-2-methylcyclopent-2-en-1-one (CID 11018868) is (4S)-4-methoxy-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-methoxy-2-methylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-methoxy-2-methylcyclopent-2-en-1-one is CO[C@@H]1C=C(C)C(=O)C1.
What is the InChIKey of (4S)-4-methoxy-2-methylcyclopent-2-en-1-one?
The InChIKey is JRVNHNSCUUNPJJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-6(9-2)4-7(5)8/h3,6H,4H2,1-2H3/t6-/m1/s1.
What are the key properties of (4S)-4-methoxy-2-methylcyclopent-2-en-1-one?
(4S)-4-methoxy-2-methylcyclopent-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 11018868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).