3-cyclopentylidene-4-methoxy-4-oxobutanoic acid

C10H14O4 — CID 14907271

IUPAC3-cyclopentylidene-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C(CC(=O)O)=C1CCCC1
InChIInChI=1S/C10H14O4/c1-14-10(13)8(6-9(11)12)7-4-2-3-5-7/h2-6H2,1H3,(H,11,12)
InChIKeyANQGQXKBPBSPJA-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.50
Rot. Bonds3

About 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid

3-cyclopentylidene-4-methoxy-4-oxobutanoic acid (PubChem CID 14907271) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name3-cyclopentylidene-4-methoxy-4-oxobutanoic acid
PubChem CID14907271
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3-cyclopentylidene-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C(CC(=O)O)=C1CCCC1
InChIInChI=1S/C10H14O4/c1-14-10(13)8(6-9(11)12)7-4-2-3-5-7/h2-6H2,1H3,(H,11,12)
InChIKeyANQGQXKBPBSPJA-UHFFFAOYSA-N
XLogP1.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid?
The IUPAC name of 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid (CID 14907271) is 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid is COC(=O)C(CC(=O)O)=C1CCCC1.
What is the InChIKey of 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid?
The InChIKey is ANQGQXKBPBSPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-14-10(13)8(6-9(11)12)7-4-2-3-5-7/h2-6H2,1H3,(H,11,12).
What are the key properties of 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid?
3-cyclopentylidene-4-methoxy-4-oxobutanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 14907271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).