3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid

C17H14FNO4S — CID 119259559

IUPAC3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C17H14FNO4S/c18-17(16(21)22)5-6-19(9-17)15(20)13-7-10-8-23-12-4-2-1-3-11(12)14(10)24-13/h1-4,7H,5-6,8-9H2,(H,21,22)
InChIKeyUMCBGCGYVCKAAE-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.95
Rot. Bonds2

About 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119259559) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119259559
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC Name3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C17H14FNO4S/c18-17(16(21)22)5-6-19(9-17)15(20)13-7-10-8-23-12-4-2-1-3-11(12)14(10)24-13/h1-4,7H,5-6,8-9H2,(H,21,22)
InChIKeyUMCBGCGYVCKAAE-UHFFFAOYSA-N
XLogP2.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 120814483
(2-methylmorpholin-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 17466146
(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877862
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 55330129
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 25398083
N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258549
N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 17409323
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7715785
4-[(4H-thieno[3,2-c]chromene-2-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120541595

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 119259559) is 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UMCBGCGYVCKAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c18-17(16(21)22)5-6-19(9-17)15(20)13-7-10-8-23-12-4-2-1-3-11(12)14(10)24-13/h1-4,7H,5-6,8-9H2,(H,21,22).
What are the key properties of 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).