1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H15NO4 — CID 579189

IUPAC1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1
InChIInChI=1S/C12H15NO4/c1-7-6-9(8(2)17-7)11(14)13-5-3-4-10(13)12(15)16/h6,10H,3-5H2,1-2H3,(H,15,16)
InChIKeySEFHWPWYVWQJKX-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.59
Rot. Bonds2

About 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 579189) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID579189
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1
InChIInChI=1S/C12H15NO4/c1-7-6-9(8(2)17-7)11(14)13-5-3-4-10(13)12(15)16/h6,10H,3-5H2,1-2H3,(H,15,16)
InChIKeySEFHWPWYVWQJKX-UHFFFAOYSA-N
XLogP1.59
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 579189) is 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SEFHWPWYVWQJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-6-9(8(2)17-7)11(14)13-5-3-4-10(13)12(15)16/h6,10H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 579189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).