5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid

C14H16FNO3 — CID 117416809

IUPAC5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)ccc3c2OCCC3)C1
InChIInChI=1S/C14H16FNO3/c15-10-4-3-8-2-1-5-19-13(8)12(10)11-6-9(7-16-11)14(17)18/h3-4,9,11,16H,1-2,5-7H2,(H,17,18)
InChIKeyNRNGFCNVVHSSFO-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.89
Rot. Bonds2

About 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid

5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117416809) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
PubChem CID117416809
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)ccc3c2OCCC3)C1
InChIInChI=1S/C14H16FNO3/c15-10-4-3-8-2-1-5-19-13(8)12(10)11-6-9(7-16-11)14(17)18/h3-4,9,11,16H,1-2,5-7H2,(H,17,18)
InChIKeyNRNGFCNVVHSSFO-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid (CID 117416809) is 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2c(F)ccc3c2OCCC3)C1.
What is the InChIKey of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is NRNGFCNVVHSSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-10-4-3-8-2-1-5-19-13(8)12(10)11-6-9(7-16-11)14(17)18/h3-4,9,11,16H,1-2,5-7H2,(H,17,18).
What are the key properties of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117416809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).