4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid

C10H14O4 — CID 178087853

IUPAC4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid
SMILESCC1CCC(C(=O)CC(=O)C(=O)O)C1
InChIInChI=1S/C10H14O4/c1-6-2-3-7(4-6)8(11)5-9(12)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKNLURYVGLBEYCQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.04
Rot. Bonds4

About 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid

4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid (PubChem CID 178087853) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid.

Molecular Properties

Compound Name4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid
PubChem CID178087853
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid
SMILESCC1CCC(C(=O)CC(=O)C(=O)O)C1
InChIInChI=1S/C10H14O4/c1-6-2-3-7(4-6)8(11)5-9(12)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKNLURYVGLBEYCQ-UHFFFAOYSA-N
XLogP1.04
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid?
The IUPAC name of 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid (CID 178087853) is 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid.
What is the SMILES notation for 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid?
The canonical SMILES for 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid is CC1CCC(C(=O)CC(=O)C(=O)O)C1.
What is the InChIKey of 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid?
The InChIKey is KNLURYVGLBEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-2-3-7(4-6)8(11)5-9(12)10(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid?
4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclopentyl)-2,4-dioxobutanoic acid is sourced from PubChem (CID 178087853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).