2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid

C19H20N2O3 — CID 146135827

IUPAC2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C19H20N2O3/c22-18(23)15-5-3-10-20-16(15)12-21-11-9-19(13-21)8-7-14-4-1-2-6-17(14)24-19/h1-6,10H,7-9,11-13H2,(H,22,23)
InChIKeyMYMQSPPDEJFYBE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.75
Rot. Bonds3

About 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid

2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 146135827) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid
PubChem CID146135827
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC2(CCc3ccccc3O2)C1
InChIInChI=1S/C19H20N2O3/c22-18(23)15-5-3-10-20-16(15)12-21-11-9-19(13-21)8-7-14-4-1-2-6-17(14)24-19/h1-6,10H,7-9,11-13H2,(H,22,23)
InChIKeyMYMQSPPDEJFYBE-UHFFFAOYSA-N
XLogP2.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid (CID 146135827) is 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCC2(CCc3ccccc3O2)C1.
What is the InChIKey of 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is MYMQSPPDEJFYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(23)15-5-3-10-20-16(15)12-21-11-9-19(13-21)8-7-14-4-1-2-6-17(14)24-19/h1-6,10H,7-9,11-13H2,(H,22,23).
What are the key properties of 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid?
2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 146135827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).