5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

C12H13NO5 — CID 43477336

IUPAC5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2C(=O)CCCC2=O)cc1C(=O)O
InChIInChI=1S/C12H13NO5/c1-7-9(12(16)17)5-8(18-7)6-13-10(14)3-2-4-11(13)15/h5H,2-4,6H2,1H3,(H,16,17)
InChIKeyWVVVNDZJUGOIBN-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.33
Rot. Bonds3

About 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 43477336) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID43477336
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2C(=O)CCCC2=O)cc1C(=O)O
InChIInChI=1S/C12H13NO5/c1-7-9(12(16)17)5-8(18-7)6-13-10(14)3-2-4-11(13)15/h5H,2-4,6H2,1H3,(H,16,17)
InChIKeyWVVVNDZJUGOIBN-UHFFFAOYSA-N
XLogP1.33
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (CID 43477336) is 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN2C(=O)CCCC2=O)cc1C(=O)O.
What is the InChIKey of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is WVVVNDZJUGOIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-7-9(12(16)17)5-8(18-7)6-13-10(14)3-2-4-11(13)15/h5H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 43477336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).