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

C11H11NO5 — CID 43447565

IUPAC3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H11NO5/c13-8-2-1-3-9(14)12(8)6-7-4-5-17-10(7)11(15)16/h4-5H,1-3,6H2,(H,15,16)
InChIKeyMBYVLRPZEMAZCZ-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.02
Rot. Bonds3

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

3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 43447565) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID43447565
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1C(=O)CCCC1=O
InChIInChI=1S/C11H11NO5/c13-8-2-1-3-9(14)12(8)6-7-4-5-17-10(7)11(15)16/h4-5H,1-3,6H2,(H,15,16)
InChIKeyMBYVLRPZEMAZCZ-UHFFFAOYSA-N
XLogP1.02
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.02
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 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid (CID 43447565) is 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CN1C(=O)CCCC1=O.
What is the InChIKey of 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MBYVLRPZEMAZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-8-2-1-3-9(14)12(8)6-7-4-5-17-10(7)11(15)16/h4-5H,1-3,6H2,(H,15,16).
What are the key properties of 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid?
3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43447565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).