methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate

C9H10O4 — CID 132576910

IUPACmethyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@]1(O)C=CC(=O)C1
InChIInChI=1S/C9H10O4/c1-13-8(11)3-5-9(12)4-2-7(10)6-9/h2-5,12H,6H2,1H3/b5-3+/t9-/m1/s1
InChIKeyMEKKGDYNMBGQHP-HYYFJVDXSA-N
MW182.18 g/mol
LogP-0.02
Rot. Bonds2

About methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate

methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate (PubChem CID 132576910) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate
PubChem CID132576910
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Namemethyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@]1(O)C=CC(=O)C1
InChIInChI=1S/C9H10O4/c1-13-8(11)3-5-9(12)4-2-7(10)6-9/h2-5,12H,6H2,1H3/b5-3+/t9-/m1/s1
InChIKeyMEKKGDYNMBGQHP-HYYFJVDXSA-N
XLogP-0.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate (CID 132576910) is methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate is COC(=O)/C=C/[C@]1(O)C=CC(=O)C1.
What is the InChIKey of methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate?
The InChIKey is MEKKGDYNMBGQHP-HYYFJVDXSA-N. The full InChI is InChI=1S/C9H10O4/c1-13-8(11)3-5-9(12)4-2-7(10)6-9/h2-5,12H,6H2,1H3/b5-3+/t9-/m1/s1.
What are the key properties of methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate?
methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate has a molecular weight of 182.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(1R)-1-hydroxy-4-oxocyclopent-2-en-1-yl]prop-2-enoate is sourced from PubChem (CID 132576910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).