1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid

C15H13NO3 — CID 2760161

IUPAC1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C15H13NO3/c17-14-8-11(15(18)19)9-16(14)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,18,19)
InChIKeyXARHILSRKCHUAE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.28
Rot. Bonds2

About 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid

1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2760161) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2760161
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C15H13NO3/c17-14-8-11(15(18)19)9-16(14)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,18,19)
InChIKeyXARHILSRKCHUAE-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid (CID 2760161) is 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XARHILSRKCHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-8-11(15(18)19)9-16(14)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,18,19).
What are the key properties of 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid?
1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2760161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).