1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid

C13H19NO4 — CID 61291438

IUPAC1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2C(=O)CCCC2=O)CC1
InChIInChI=1S/C13H19NO4/c1-9-5-7-13(8-6-9,12(17)18)14-10(15)3-2-4-11(14)16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyQCRMPLMKHLLNNM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.56
Rot. Bonds2

About 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid

1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 61291438) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID61291438
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2C(=O)CCCC2=O)CC1
InChIInChI=1S/C13H19NO4/c1-9-5-7-13(8-6-9,12(17)18)14-10(15)3-2-4-11(14)16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyQCRMPLMKHLLNNM-UHFFFAOYSA-N
XLogP1.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid (CID 61291438) is 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N2C(=O)CCCC2=O)CC1.
What is the InChIKey of 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is QCRMPLMKHLLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-5-7-13(8-6-9,12(17)18)14-10(15)3-2-4-11(14)16/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid?
1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).