(3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate

C14H18N2O4 — CID 729712

IUPAC(3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1OC(=O)c1ccco1
InChIInChI=1S/C14H18N2O4/c1-13(2)8-9(11(15)17)14(3,4)16(13)20-12(18)10-6-5-7-19-10/h5-8H,1-4H3,(H2,15,17)
InChIKeyADODTUPQMKSKHK-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.64
Rot. Bonds3

About (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate

(3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate (PubChem CID 729712) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate
PubChem CID729712
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1OC(=O)c1ccco1
InChIInChI=1S/C14H18N2O4/c1-13(2)8-9(11(15)17)14(3,4)16(13)20-12(18)10-6-5-7-19-10/h5-8H,1-4H3,(H2,15,17)
InChIKeyADODTUPQMKSKHK-UHFFFAOYSA-N
XLogP1.64
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate?
The IUPAC name of (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate (CID 729712) is (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate.
What is the SMILES notation for (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate?
The canonical SMILES for (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate is CC1(C)C=C(C(N)=O)C(C)(C)N1OC(=O)c1ccco1.
What is the InChIKey of (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate?
The InChIKey is ADODTUPQMKSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-13(2)8-9(11(15)17)14(3,4)16(13)20-12(18)10-6-5-7-19-10/h5-8H,1-4H3,(H2,15,17).
What are the key properties of (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate?
(3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-2,2,5,5-tetramethylpyrrol-1-yl) furan-2-carboxylate is sourced from PubChem (CID 729712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).