2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid

C10H9NO4 — CID 131003233

IUPAC2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(=O)N1CC=CC1
InChIInChI=1S/C10H9NO4/c12-9(11-4-1-2-5-11)8-7(10(13)14)3-6-15-8/h1-3,6H,4-5H2,(H,13,14)
InChIKeyHFFGGJBZFDLPQT-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.99
Rot. Bonds2

About 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid

2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid (PubChem CID 131003233) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid
PubChem CID131003233
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(=O)N1CC=CC1
InChIInChI=1S/C10H9NO4/c12-9(11-4-1-2-5-11)8-7(10(13)14)3-6-15-8/h1-3,6H,4-5H2,(H,13,14)
InChIKeyHFFGGJBZFDLPQT-UHFFFAOYSA-N
XLogP0.99
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aziridine-1-carbonyl)furan-3-carboxamide
CID 130238345
furan-2,3-dicarboxylic acid;piperidine-2,6-dione
CID 175955760
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid
CID 114263532
(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124610786
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde
CID 174855873
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromofuran-2-yl)methanone
CID 119519300
(3-bromofuran-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413838
2-(3-methylfuran-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997302
2-sulfofuran-3-carboxylic acid
CID 19603891
(3R)-2-methyl-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95727982

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid (CID 131003233) is 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid is O=C(O)c1ccoc1C(=O)N1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is HFFGGJBZFDLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-9(11-4-1-2-5-11)8-7(10(13)14)3-6-15-8/h1-3,6H,4-5H2,(H,13,14).
What are the key properties of 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid?
2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 131003233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).