1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid

C16H19N3O2 — CID 63586009

IUPAC1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2cnnc3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c1-2-7-16(15(20)21)8-9-19(11-16)14-10-17-18-13-6-4-3-5-12(13)14/h3-6,10H,2,7-9,11H2,1H3,(H,20,21)
InChIKeyPYKOGZFIEXNGIH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.71
Rot. Bonds4

About 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid

1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63586009) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63586009
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2cnnc3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c1-2-7-16(15(20)21)8-9-19(11-16)14-10-17-18-13-6-4-3-5-12(13)14/h3-6,10H,2,7-9,11H2,1H3,(H,20,21)
InChIKeyPYKOGZFIEXNGIH-UHFFFAOYSA-N
XLogP2.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid (CID 63586009) is 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2cnnc3ccccc23)C1.
What is the InChIKey of 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is PYKOGZFIEXNGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-7-16(15(20)21)8-9-19(11-16)14-10-17-18-13-6-4-3-5-12(13)14/h3-6,10H,2,7-9,11H2,1H3,(H,20,21).
What are the key properties of 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid?
1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63586009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).