1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid

C14H13NO4 — CID 10988992

IUPAC1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1cc(=O)oc2ccccc12
InChIInChI=1S/C14H13NO4/c16-13-8-11(9-4-1-2-6-12(9)19-13)15-7-3-5-10(15)14(17)18/h1-2,4,6,8,10H,3,5,7H2,(H,17,18)
InChIKeyMQRYQGIZKJNFLK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid

1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 10988992) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID10988992
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1cc(=O)oc2ccccc12
InChIInChI=1S/C14H13NO4/c16-13-8-11(9-4-1-2-6-12(9)19-13)15-7-3-5-10(15)14(17)18/h1-2,4,6,8,10H,3,5,7H2,(H,17,18)
InChIKeyMQRYQGIZKJNFLK-UHFFFAOYSA-N
XLogP1.85
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid (CID 10988992) is 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1cc(=O)oc2ccccc12.
What is the InChIKey of 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MQRYQGIZKJNFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13-8-11(9-4-1-2-6-12(9)19-13)15-7-3-5-10(15)14(17)18/h1-2,4,6,8,10H,3,5,7H2,(H,17,18).
What are the key properties of 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid?
1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10988992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).