(2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid

C8H10O3 — CID 70518884

IUPAC(2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid
SMILESCC1CC(=O)/C(=C/C(=O)O)C1
InChIInChI=1S/C8H10O3/c1-5-2-6(4-8(10)11)7(9)3-5/h4-5H,2-3H2,1H3,(H,10,11)/b6-4+
InChIKeyKVJLXKDOSPDTOT-GQCTYLIASA-N
MW154.16 g/mol
LogP1.00
Rot. Bonds1

About (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid

(2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid (PubChem CID 70518884) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid
PubChem CID70518884
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid
SMILESCC1CC(=O)/C(=C/C(=O)O)C1
InChIInChI=1S/C8H10O3/c1-5-2-6(4-8(10)11)7(9)3-5/h4-5H,2-3H2,1H3,(H,10,11)/b6-4+
InChIKeyKVJLXKDOSPDTOT-GQCTYLIASA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid?
The IUPAC name of (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid (CID 70518884) is (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid.
What is the SMILES notation for (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid?
The canonical SMILES for (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid is CC1CC(=O)/C(=C/C(=O)O)C1.
What is the InChIKey of (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid?
The InChIKey is KVJLXKDOSPDTOT-GQCTYLIASA-N. The full InChI is InChI=1S/C8H10O3/c1-5-2-6(4-8(10)11)7(9)3-5/h4-5H,2-3H2,1H3,(H,10,11)/b6-4+.
What are the key properties of (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid?
(2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid has a molecular weight of 154.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-methyl-2-oxocyclopentylidene)acetic acid is sourced from PubChem (CID 70518884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).